2-(7-chloro-1-benzofuran-2-yl)pyridine-4-carboxylic acid

C14H8ClNO3 — CID 115113759

IUPAC2-(7-chloro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc3cccc(Cl)c3o2)c1
InChIInChI=1S/C14H8ClNO3/c15-10-3-1-2-8-7-12(19-13(8)10)11-6-9(14(17)18)4-5-16-11/h1-7H,(H,17,18)
InChIKeyGLYFMSWQDGPJAW-UHFFFAOYSA-N
MW273.68 g/mol
LogP3.85
Rot. Bonds2

About 2-(7-chloro-1-benzofuran-2-yl)pyridine-4-carboxylic acid

2-(7-chloro-1-benzofuran-2-yl)pyridine-4-carboxylic acid (PubChem CID 115113759) has the molecular formula C14H8ClNO3 and a molecular weight of 273.68 g/mol. Its IUPAC name is 2-(7-chloro-1-benzofuran-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(7-chloro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
PubChem CID115113759
Molecular FormulaC14H8ClNO3
Molecular Weight273.68 g/mol
Exact Mass273.02
IUPAC Name2-(7-chloro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc3cccc(Cl)c3o2)c1
InChIInChI=1S/C14H8ClNO3/c15-10-3-1-2-8-7-12(19-13(8)10)11-6-9(14(17)18)4-5-16-11/h1-7H,(H,17,18)
InChIKeyGLYFMSWQDGPJAW-UHFFFAOYSA-N
XLogP3.85
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(7-chloro-1-benzofuran-2-yl)pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
CID 115113758
3-chloro-4-(7-chloro-1-benzofuran-2-yl)benzoic acid
CID 114731762
4-(7-chloro-1-benzofuran-2-yl)-3-fluorobenzoic acid
CID 114731769
5-(7-chloro-1-benzofuran-2-yl)furan-2-carboxylic acid
CID 114731756
2-(6-methyl-1-benzofuran-2-yl)pyridine-4-carboxylic acid
CID 115113829
6-(7-chloro-1-benzofuran-2-yl)-1H-pyrimidin-2-one
CID 106521970
2-(1-benzofuran-7-yl)pyridine-4-carboxylic acid
CID 139447724
6-(7-chloro-1-benzofuran-2-yl)-4-methylpyridin-3-amine
CID 114256473
5-(7-chloro-1-benzofuran-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 115109824
4-(7-chloro-1-benzofuran-2-yl)-N-ethylpyrimidin-2-amine
CID 114735069
2-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridine-4-carboxylic acid
CID 115113980
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-benzofuran-2-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(7-chloro-1-benzofuran-2-yl)pyridine-4-carboxylic acid (CID 115113759) is 2-(7-chloro-1-benzofuran-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(7-chloro-1-benzofuran-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(7-chloro-1-benzofuran-2-yl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cc3cccc(Cl)c3o2)c1.
What is the InChIKey of 2-(7-chloro-1-benzofuran-2-yl)pyridine-4-carboxylic acid?
The InChIKey is GLYFMSWQDGPJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO3/c15-10-3-1-2-8-7-12(19-13(8)10)11-6-9(14(17)18)4-5-16-11/h1-7H,(H,17,18).
What are the key properties of 2-(7-chloro-1-benzofuran-2-yl)pyridine-4-carboxylic acid?
2-(7-chloro-1-benzofuran-2-yl)pyridine-4-carboxylic acid has a molecular weight of 273.68 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-benzofuran-2-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 115113759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).