6-(chloromethyl)-2-fluoropyridin-3-ol

C6H5ClFNO — CID 130777940

IUPAC6-(chloromethyl)-2-fluoropyridin-3-ol
SMILESOc1ccc(CCl)nc1F
InChIInChI=1S/C6H5ClFNO/c7-3-4-1-2-5(10)6(8)9-4/h1-2,10H,3H2
InChIKeyOZVHRUWUCZTZDC-UHFFFAOYSA-N
MW161.56 g/mol
LogP1.67
Rot. Bonds1

About 6-(chloromethyl)-2-fluoropyridin-3-ol

6-(chloromethyl)-2-fluoropyridin-3-ol (PubChem CID 130777940) has the molecular formula C6H5ClFNO and a molecular weight of 161.56 g/mol. Its IUPAC name is 6-(chloromethyl)-2-fluoropyridin-3-ol.

Molecular Properties

Compound Name6-(chloromethyl)-2-fluoropyridin-3-ol
PubChem CID130777940
Molecular FormulaC6H5ClFNO
Molecular Weight161.56 g/mol
Exact Mass161.00
IUPAC Name6-(chloromethyl)-2-fluoropyridin-3-ol
SMILESOc1ccc(CCl)nc1F
InChIInChI=1S/C6H5ClFNO/c7-3-4-1-2-5(10)6(8)9-4/h1-2,10H,3H2
InChIKeyOZVHRUWUCZTZDC-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(chloromethyl)-2-fluoropyridin-3-ol 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-(chloromethyl)-2-fluoropyridin-3-ol?
The IUPAC name of 6-(chloromethyl)-2-fluoropyridin-3-ol (CID 130777940) is 6-(chloromethyl)-2-fluoropyridin-3-ol.
What is the SMILES notation for 6-(chloromethyl)-2-fluoropyridin-3-ol?
The canonical SMILES for 6-(chloromethyl)-2-fluoropyridin-3-ol is Oc1ccc(CCl)nc1F.
What is the InChIKey of 6-(chloromethyl)-2-fluoropyridin-3-ol?
The InChIKey is OZVHRUWUCZTZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO/c7-3-4-1-2-5(10)6(8)9-4/h1-2,10H,3H2.
What are the key properties of 6-(chloromethyl)-2-fluoropyridin-3-ol?
6-(chloromethyl)-2-fluoropyridin-3-ol has a molecular weight of 161.56 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-2-fluoropyridin-3-ol is sourced from PubChem (CID 130777940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).