(5-bromo-6-chloro-3-pyridinyl)methanol

C6H5BrClNO — CID 20583217

IUPAC(5-bromo-6-chloro-3-pyridinyl)methanol
SMILESOCc1cnc(Cl)c(Br)c1
InChIInChI=1S/C6H5BrClNO/c7-5-1-4(3-10)2-9-6(5)8/h1-2,10H,3H2
InChIKeyQWDIYYDBPYBDCM-UHFFFAOYSA-N
MW222.47 g/mol
LogP1.99
Rot. Bonds1

About (5-bromo-6-chloro-3-pyridinyl)methanol

(5-bromo-6-chloro-3-pyridinyl)methanol (PubChem CID 20583217) has the molecular formula C6H5BrClNO and a molecular weight of 222.47 g/mol. Its IUPAC name is (5-bromo-6-chloro-3-pyridinyl)methanol.

Molecular Properties

Compound Name(5-bromo-6-chloro-3-pyridinyl)methanol
PubChem CID20583217
Molecular FormulaC6H5BrClNO
Molecular Weight222.47 g/mol
Exact Mass220.92
IUPAC Name(5-bromo-6-chloro-3-pyridinyl)methanol
SMILESOCc1cnc(Cl)c(Br)c1
InChIInChI=1S/C6H5BrClNO/c7-5-1-4(3-10)2-9-6(5)8/h1-2,10H,3H2
InChIKeyQWDIYYDBPYBDCM-UHFFFAOYSA-N
XLogP1.99
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.47
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (5-bromo-6-chloro-3-pyridinyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-bromo-6-chloro-3-pyridinyl)methanol?
The IUPAC name of (5-bromo-6-chloro-3-pyridinyl)methanol (CID 20583217) is (5-bromo-6-chloro-3-pyridinyl)methanol.
What is the SMILES notation for (5-bromo-6-chloro-3-pyridinyl)methanol?
The canonical SMILES for (5-bromo-6-chloro-3-pyridinyl)methanol is OCc1cnc(Cl)c(Br)c1.
What is the InChIKey of (5-bromo-6-chloro-3-pyridinyl)methanol?
The InChIKey is QWDIYYDBPYBDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClNO/c7-5-1-4(3-10)2-9-6(5)8/h1-2,10H,3H2.
What are the key properties of (5-bromo-6-chloro-3-pyridinyl)methanol?
(5-bromo-6-chloro-3-pyridinyl)methanol has a molecular weight of 222.47 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-6-chloro-3-pyridinyl)methanol is sourced from PubChem (CID 20583217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).