2-(6-chloro-2-fluoro-3-pyridinyl)acetic acid

C7H5ClFNO2 — CID 88531952

IUPAC2-(6-chloro-2-fluoro-3-pyridinyl)acetic acid
SMILESO=C(O)Cc1ccc(Cl)nc1F
InChIInChI=1S/C7H5ClFNO2/c8-5-2-1-4(3-6(11)12)7(9)10-5/h1-2H,3H2,(H,11,12)
InChIKeyBBDFZTWNHLKZBN-UHFFFAOYSA-N
MW189.57 g/mol
LogP1.50
Rot. Bonds2

About 2-(6-chloro-2-fluoro-3-pyridinyl)acetic acid

2-(6-chloro-2-fluoro-3-pyridinyl)acetic acid (PubChem CID 88531952) has the molecular formula C7H5ClFNO2 and a molecular weight of 189.57 g/mol. Its IUPAC name is 2-(6-chloro-2-fluoro-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-2-fluoro-3-pyridinyl)acetic acid
PubChem CID88531952
Molecular FormulaC7H5ClFNO2
Molecular Weight189.57 g/mol
Exact Mass189.00
IUPAC Name2-(6-chloro-2-fluoro-3-pyridinyl)acetic acid
SMILESO=C(O)Cc1ccc(Cl)nc1F
InChIInChI=1S/C7H5ClFNO2/c8-5-2-1-4(3-6(11)12)7(9)10-5/h1-2H,3H2,(H,11,12)
InChIKeyBBDFZTWNHLKZBN-UHFFFAOYSA-N
XLogP1.50
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.57
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(6-chloro-2-fluoro-3-pyridinyl)acetic acid 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-(6-chloro-2-fluoro-3-pyridinyl)acetic acid?
The IUPAC name of 2-(6-chloro-2-fluoro-3-pyridinyl)acetic acid (CID 88531952) is 2-(6-chloro-2-fluoro-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(6-chloro-2-fluoro-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(6-chloro-2-fluoro-3-pyridinyl)acetic acid is O=C(O)Cc1ccc(Cl)nc1F.
What is the InChIKey of 2-(6-chloro-2-fluoro-3-pyridinyl)acetic acid?
The InChIKey is BBDFZTWNHLKZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO2/c8-5-2-1-4(3-6(11)12)7(9)10-5/h1-2H,3H2,(H,11,12).
What are the key properties of 2-(6-chloro-2-fluoro-3-pyridinyl)acetic acid?
2-(6-chloro-2-fluoro-3-pyridinyl)acetic acid has a molecular weight of 189.57 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-fluoro-3-pyridinyl)acetic acid is sourced from PubChem (CID 88531952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).