(3-Bromo-5-chloropyridin-4-yl)methanol
Product Specifications
- CAS
- 1064677-18-4
- MF
- C6H5BrClNO
- Appearance
- white solid
- Synonym(s)
- 4-Pyridinemethanol, 3-bromo-5-chloro-; (3-Bromo-5-chloro-4-pyridyl)methanol
- Shipping
- ambient temperature
- Storage
- 2-8°C
(3-Bromo-5-chloropyridin-4-yl)methanol corresponds to CAS 1064677-18-4 and molecular formula C6H5BrClNO. PubChem assigns this identity CID 44190471. The connectivity is encoded by SMILES C1=C(C(=C(C=N1)Br)CO)Cl, while InChIKey MYDFUTNSEMGKKS-UHFFFAOYSA-N supplies a compact structure index. The CAS number, elemental composition, and both machine-readable identifiers resolve to the same compound record.
Its name fixes three substituent positions around a pyridine ring: bromine at carbon 3, a hydroxymethyl group at carbon 4, and chlorine at carbon 5. One nitrogen atom belongs to the six-membered ring. The formula counts six carbon atoms, five hydrogen atoms, one bromine atom, one chlorine atom, one nitrogen atom, and one oxygen atom. The encoded record is a single connected structure without a dot-separated counterion. The methanol suffix denotes a carbon bearing the hydroxyl group outside the aromatic ring, not a ring-bound hydroxy substituent.
Positional detail is essential for this identity because moving either halogen or the hydroxymethyl group produces a different pyridine compound even when the same element types remain present. The full locanted name therefore works together with CAS 1064677-18-4 and PubChem CID 44190471 to identify the intended connectivity. SMILES C1=C(C(=C(C=N1)Br)CO)Cl places the substituents explicitly, and InChIKey MYDFUTNSEMGKKS-UHFFFAOYSA-N enables an independent exact-structure comparison. Taken together, these references distinguish the entry from related bromochloropyridinyl methanol isomers.