(5-bromo-6-chloro-3-fluoro-2-pyridinyl)methanol

C6H4BrClFNO — CID 129282196

IUPAC(5-bromo-6-chloro-3-fluoro-2-pyridinyl)methanol
SMILESOCc1nc(Cl)c(Br)cc1F
InChIInChI=1S/C6H4BrClFNO/c7-3-1-4(9)5(2-11)10-6(3)8/h1,11H,2H2
InChIKeyHNWVTJMSSICIIT-UHFFFAOYSA-N
MW240.46 g/mol
LogP2.13
Rot. Bonds1

About (5-bromo-6-chloro-3-fluoro-2-pyridinyl)methanol

(5-bromo-6-chloro-3-fluoro-2-pyridinyl)methanol (PubChem CID 129282196) has the molecular formula C6H4BrClFNO and a molecular weight of 240.46 g/mol. Its IUPAC name is (5-bromo-6-chloro-3-fluoro-2-pyridinyl)methanol.

Molecular Properties

Compound Name(5-bromo-6-chloro-3-fluoro-2-pyridinyl)methanol
PubChem CID129282196
Molecular FormulaC6H4BrClFNO
Molecular Weight240.46 g/mol
Exact Mass238.91
IUPAC Name(5-bromo-6-chloro-3-fluoro-2-pyridinyl)methanol
SMILESOCc1nc(Cl)c(Br)cc1F
InChIInChI=1S/C6H4BrClFNO/c7-3-1-4(9)5(2-11)10-6(3)8/h1,11H,2H2
InChIKeyHNWVTJMSSICIIT-UHFFFAOYSA-N
XLogP2.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 52.13
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-fluoro-2-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-fluoro-2-pyridinyl)methanol?
The IUPAC name of (5-bromo-6-chloro-3-fluoro-2-pyridinyl)methanol (CID 129282196) is (5-bromo-6-chloro-3-fluoro-2-pyridinyl)methanol.
What is the SMILES notation for (5-bromo-6-chloro-3-fluoro-2-pyridinyl)methanol?
The canonical SMILES for (5-bromo-6-chloro-3-fluoro-2-pyridinyl)methanol is OCc1nc(Cl)c(Br)cc1F.
What is the InChIKey of (5-bromo-6-chloro-3-fluoro-2-pyridinyl)methanol?
The InChIKey is HNWVTJMSSICIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClFNO/c7-3-1-4(9)5(2-11)10-6(3)8/h1,11H,2H2.
What are the key properties of (5-bromo-6-chloro-3-fluoro-2-pyridinyl)methanol?
(5-bromo-6-chloro-3-fluoro-2-pyridinyl)methanol has a molecular weight of 240.46 g/mol, XLogP of 2.13, 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-fluoro-2-pyridinyl)methanol is sourced from PubChem (CID 129282196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).