6-[(4-ethenylphenyl)carbamoyl]pyridine-2-carboxylic acid

C15H12N2O3 — CID 118537298

IUPAC6-[(4-ethenylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESC=Cc1ccc(NC(=O)c2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C15H12N2O3/c1-2-10-6-8-11(9-7-10)16-14(18)12-4-3-5-13(17-12)15(19)20/h2-9H,1H2,(H,16,18)(H,19,20)
InChIKeyKYUVQFZEHVOSBA-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.68
Rot. Bonds4

About 6-[(4-ethenylphenyl)carbamoyl]pyridine-2-carboxylic acid

6-[(4-ethenylphenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 118537298) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 6-[(4-ethenylphenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-ethenylphenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID118537298
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name6-[(4-ethenylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESC=Cc1ccc(NC(=O)c2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C15H12N2O3/c1-2-10-6-8-11(9-7-10)16-14(18)12-4-3-5-13(17-12)15(19)20/h2-9H,1H2,(H,16,18)(H,19,20)
InChIKeyKYUVQFZEHVOSBA-UHFFFAOYSA-N
XLogP2.68
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethenylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-ethenylphenyl)carbamoyl]pyridine-2-carboxylic acid (CID 118537298) is 6-[(4-ethenylphenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-ethenylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-ethenylphenyl)carbamoyl]pyridine-2-carboxylic acid is C=Cc1ccc(NC(=O)c2cccc(C(=O)O)n2)cc1.
What is the InChIKey of 6-[(4-ethenylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is KYUVQFZEHVOSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-2-10-6-8-11(9-7-10)16-14(18)12-4-3-5-13(17-12)15(19)20/h2-9H,1H2,(H,16,18)(H,19,20).
What are the key properties of 6-[(4-ethenylphenyl)carbamoyl]pyridine-2-carboxylic acid?
6-[(4-ethenylphenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethenylphenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 118537298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).