2-chloro-4-(5-fluoro-3-pyridinyl)phenol

C11H7ClFNO — CID 83131119

IUPAC2-chloro-4-(5-fluoro-3-pyridinyl)phenol
SMILESOc1ccc(-c2cncc(F)c2)cc1Cl
InChIInChI=1S/C11H7ClFNO/c12-10-4-7(1-2-11(10)15)8-3-9(13)6-14-5-8/h1-6,15H
InChIKeyXRJULBJQECZLSZ-UHFFFAOYSA-N
MW223.63 g/mol
LogP3.25
Rot. Bonds1

About 2-chloro-4-(5-fluoro-3-pyridinyl)phenol

2-chloro-4-(5-fluoro-3-pyridinyl)phenol (PubChem CID 83131119) has the molecular formula C11H7ClFNO and a molecular weight of 223.63 g/mol. Its IUPAC name is 2-chloro-4-(5-fluoro-3-pyridinyl)phenol.

Molecular Properties

Compound Name2-chloro-4-(5-fluoro-3-pyridinyl)phenol
PubChem CID83131119
Molecular FormulaC11H7ClFNO
Molecular Weight223.63 g/mol
Exact Mass223.02
IUPAC Name2-chloro-4-(5-fluoro-3-pyridinyl)phenol
SMILESOc1ccc(-c2cncc(F)c2)cc1Cl
InChIInChI=1S/C11H7ClFNO/c12-10-4-7(1-2-11(10)15)8-3-9(13)6-14-5-8/h1-6,15H
InChIKeyXRJULBJQECZLSZ-UHFFFAOYSA-N
XLogP3.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.63
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-(5-fluoro-3-pyridinyl)phenol 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 2-chloro-4-(5-fluoro-3-pyridinyl)phenol?
The IUPAC name of 2-chloro-4-(5-fluoro-3-pyridinyl)phenol (CID 83131119) is 2-chloro-4-(5-fluoro-3-pyridinyl)phenol.
What is the SMILES notation for 2-chloro-4-(5-fluoro-3-pyridinyl)phenol?
The canonical SMILES for 2-chloro-4-(5-fluoro-3-pyridinyl)phenol is Oc1ccc(-c2cncc(F)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-(5-fluoro-3-pyridinyl)phenol?
The InChIKey is XRJULBJQECZLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO/c12-10-4-7(1-2-11(10)15)8-3-9(13)6-14-5-8/h1-6,15H.
What are the key properties of 2-chloro-4-(5-fluoro-3-pyridinyl)phenol?
2-chloro-4-(5-fluoro-3-pyridinyl)phenol has a molecular weight of 223.63 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(5-fluoro-3-pyridinyl)phenol is sourced from PubChem (CID 83131119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).