2-(6-methyl-1-benzofuran-2-yl)pyridine-4-carboxylic acid

C15H11NO3 — CID 115113829

IUPAC2-(6-methyl-1-benzofuran-2-yl)pyridine-4-carboxylic acid
SMILESCc1ccc2cc(-c3cc(C(=O)O)ccn3)oc2c1
InChIInChI=1S/C15H11NO3/c1-9-2-3-10-8-14(19-13(10)6-9)12-7-11(15(17)18)4-5-16-12/h2-8H,1H3,(H,17,18)
InChIKeyBCENNIKRHCJQMQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.50
Rot. Bonds2

About 2-(6-methyl-1-benzofuran-2-yl)pyridine-4-carboxylic acid

2-(6-methyl-1-benzofuran-2-yl)pyridine-4-carboxylic acid (PubChem CID 115113829) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(6-methyl-1-benzofuran-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-methyl-1-benzofuran-2-yl)pyridine-4-carboxylic acid
PubChem CID115113829
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name2-(6-methyl-1-benzofuran-2-yl)pyridine-4-carboxylic acid
SMILESCc1ccc2cc(-c3cc(C(=O)O)ccn3)oc2c1
InChIInChI=1S/C15H11NO3/c1-9-2-3-10-8-14(19-13(10)6-9)12-7-11(15(17)18)4-5-16-12/h2-8H,1H3,(H,17,18)
InChIKeyBCENNIKRHCJQMQ-UHFFFAOYSA-N
XLogP3.50
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
CID 115113758
1-methyl-5-(6-methyl-1-benzofuran-2-yl)pyrazole-4-carboxylic acid
CID 115109556
2-(7-chloro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
CID 115113759
2-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridine-4-carboxylic acid
CID 115113980
2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carboxylic acid
CID 71289011
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
4-chloro-2-(5-methyl-1-benzofuran-2-yl)pyridine
CID 102825203
2-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-4-carboxylic acid
CID 58252537
2-[2-[2-(5-methylfuran-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70743386
2-(1-methylimidazol-2-yl)pyridine-4-carboxylic acid
CID 84671306
6-(4-carboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid
CID 58788780
[6-(6-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine
CID 115110735

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-benzofuran-2-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(6-methyl-1-benzofuran-2-yl)pyridine-4-carboxylic acid (CID 115113829) is 2-(6-methyl-1-benzofuran-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(6-methyl-1-benzofuran-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(6-methyl-1-benzofuran-2-yl)pyridine-4-carboxylic acid is Cc1ccc2cc(-c3cc(C(=O)O)ccn3)oc2c1.
What is the InChIKey of 2-(6-methyl-1-benzofuran-2-yl)pyridine-4-carboxylic acid?
The InChIKey is BCENNIKRHCJQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-9-2-3-10-8-14(19-13(10)6-9)12-7-11(15(17)18)4-5-16-12/h2-8H,1H3,(H,17,18).
What are the key properties of 2-(6-methyl-1-benzofuran-2-yl)pyridine-4-carboxylic acid?
2-(6-methyl-1-benzofuran-2-yl)pyridine-4-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1-benzofuran-2-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 115113829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).