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

C6H5ClFNO — CID 51040787

IUPAC(6-chloro-2-fluoro-3-pyridinyl)methanol
SMILESOCc1ccc(Cl)nc1F
InChIInChI=1S/C6H5ClFNO/c7-5-2-1-4(3-10)6(8)9-5/h1-2,10H,3H2
InChIKeyLLSPCHCQVHEEMW-UHFFFAOYSA-N
MW161.56 g/mol
LogP1.37
Rot. Bonds1

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

(6-chloro-2-fluoro-3-pyridinyl)methanol (PubChem CID 51040787) has the molecular formula C6H5ClFNO and a molecular weight of 161.56 g/mol. Its IUPAC name is (6-chloro-2-fluoro-3-pyridinyl)methanol.

Molecular Properties

Compound Name(6-chloro-2-fluoro-3-pyridinyl)methanol
PubChem CID51040787
Molecular FormulaC6H5ClFNO
Molecular Weight161.56 g/mol
Exact Mass161.00
IUPAC Name(6-chloro-2-fluoro-3-pyridinyl)methanol
SMILESOCc1ccc(Cl)nc1F
InChIInChI=1S/C6H5ClFNO/c7-5-2-1-4(3-10)6(8)9-5/h1-2,10H,3H2
InChIKeyLLSPCHCQVHEEMW-UHFFFAOYSA-N
XLogP1.37
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.56
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6-chloro-2-fluoro-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 (6-chloro-2-fluoro-3-pyridinyl)methanol?
The IUPAC name of (6-chloro-2-fluoro-3-pyridinyl)methanol (CID 51040787) is (6-chloro-2-fluoro-3-pyridinyl)methanol.
What is the SMILES notation for (6-chloro-2-fluoro-3-pyridinyl)methanol?
The canonical SMILES for (6-chloro-2-fluoro-3-pyridinyl)methanol is OCc1ccc(Cl)nc1F.
What is the InChIKey of (6-chloro-2-fluoro-3-pyridinyl)methanol?
The InChIKey is LLSPCHCQVHEEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO/c7-5-2-1-4(3-10)6(8)9-5/h1-2,10H,3H2.
What are the key properties of (6-chloro-2-fluoro-3-pyridinyl)methanol?
(6-chloro-2-fluoro-3-pyridinyl)methanol has a molecular weight of 161.56 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-fluoro-3-pyridinyl)methanol is sourced from PubChem (CID 51040787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).