2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid

C14H12N2O3 — CID 768869

IUPAC2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
SMILESCc1cccc(NC(=O)c2ccccc2C(=O)O)n1
InChIInChI=1S/C14H12N2O3/c1-9-5-4-8-12(15-9)16-13(17)10-6-2-3-7-11(10)14(18)19/h2-8H,1H3,(H,18,19)(H,15,16,17)
InChIKeyNDIMSWFALAOKTI-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.34
Rot. Bonds3

About 2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid

2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid (PubChem CID 768869) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
PubChem CID768869
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
SMILESCc1cccc(NC(=O)c2ccccc2C(=O)O)n1
InChIInChI=1S/C14H12N2O3/c1-9-5-4-8-12(15-9)16-13(17)10-6-2-3-7-11(10)14(18)19/h2-8H,1H3,(H,18,19)(H,15,16,17)
InChIKeyNDIMSWFALAOKTI-UHFFFAOYSA-N
XLogP2.34
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid (CID 768869) is 2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid is Cc1cccc(NC(=O)c2ccccc2C(=O)O)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid?
The InChIKey is NDIMSWFALAOKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-9-5-4-8-12(15-9)16-13(17)10-6-2-3-7-11(10)14(18)19/h2-8H,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid?
2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid has a molecular weight of 256.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid is sourced from PubChem (CID 768869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).