4-chloro-2-(fluoromethyl)pyridine;(4-chloro-2-pyridinyl)methanol

C12H11Cl2FN2O — CID 160823537

IUPAC4-chloro-2-(fluoromethyl)pyridine;(4-chloro-2-pyridinyl)methanol
SMILESFCc1cc(Cl)ccn1.OCc1cc(Cl)ccn1
InChIInChI=1S/C6H5ClFN.C6H6ClNO/c7-5-1-2-9-6(3-5)4-8;7-5-1-2-8-6(3-5)4-9/h1-3H,4H2;1-3,9H,4H2
InChIKeySFVXUDXRBGDJKP-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.43
Rot. Bonds2

About 4-chloro-2-(fluoromethyl)pyridine;(4-chloro-2-pyridinyl)methanol

4-chloro-2-(fluoromethyl)pyridine;(4-chloro-2-pyridinyl)methanol (PubChem CID 160823537) has the molecular formula C12H11Cl2FN2O and a molecular weight of 289.14 g/mol. Its IUPAC name is 4-chloro-2-(fluoromethyl)pyridine;(4-chloro-2-pyridinyl)methanol.

Molecular Properties

Compound Name4-chloro-2-(fluoromethyl)pyridine;(4-chloro-2-pyridinyl)methanol
PubChem CID160823537
Molecular FormulaC12H11Cl2FN2O
Molecular Weight289.14 g/mol
Exact Mass288.02
IUPAC Name4-chloro-2-(fluoromethyl)pyridine;(4-chloro-2-pyridinyl)methanol
SMILESFCc1cc(Cl)ccn1.OCc1cc(Cl)ccn1
InChIInChI=1S/C6H5ClFN.C6H6ClNO/c7-5-1-2-9-6(3-5)4-8;7-5-1-2-8-6(3-5)4-9/h1-3H,4H2;1-3,9H,4H2
InChIKeySFVXUDXRBGDJKP-UHFFFAOYSA-N
XLogP3.43
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(fluoromethyl)pyridine;(4-chloro-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 4-chloro-2-(fluoromethyl)pyridine;(4-chloro-2-pyridinyl)methanol?
The IUPAC name of 4-chloro-2-(fluoromethyl)pyridine;(4-chloro-2-pyridinyl)methanol (CID 160823537) is 4-chloro-2-(fluoromethyl)pyridine;(4-chloro-2-pyridinyl)methanol.
What is the SMILES notation for 4-chloro-2-(fluoromethyl)pyridine;(4-chloro-2-pyridinyl)methanol?
The canonical SMILES for 4-chloro-2-(fluoromethyl)pyridine;(4-chloro-2-pyridinyl)methanol is FCc1cc(Cl)ccn1.OCc1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-2-(fluoromethyl)pyridine;(4-chloro-2-pyridinyl)methanol?
The InChIKey is SFVXUDXRBGDJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFN.C6H6ClNO/c7-5-1-2-9-6(3-5)4-8;7-5-1-2-8-6(3-5)4-9/h1-3H,4H2;1-3,9H,4H2.
What are the key properties of 4-chloro-2-(fluoromethyl)pyridine;(4-chloro-2-pyridinyl)methanol?
4-chloro-2-(fluoromethyl)pyridine;(4-chloro-2-pyridinyl)methanol has a molecular weight of 289.14 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(fluoromethyl)pyridine;(4-chloro-2-pyridinyl)methanol is sourced from PubChem (CID 160823537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).