benzoic acid;pyridine-2-carboxamide

C13H12N2O3 — CID 67821051

IUPACbenzoic acid;pyridine-2-carboxamide
SMILESNC(=O)c1ccccn1.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.C6H6N2O/c8-7(9)6-4-2-1-3-5-6;7-6(9)5-3-1-2-4-8-5/h1-5H,(H,8,9);1-4H,(H2,7,9)
InChIKeyCOOMRDOXJODJJW-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.57
Rot. Bonds2

About benzoic acid;pyridine-2-carboxamide

benzoic acid;pyridine-2-carboxamide (PubChem CID 67821051) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is benzoic acid;pyridine-2-carboxamide.

Molecular Properties

Compound Namebenzoic acid;pyridine-2-carboxamide
PubChem CID67821051
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Namebenzoic acid;pyridine-2-carboxamide
SMILESNC(=O)c1ccccn1.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.C6H6N2O/c8-7(9)6-4-2-1-3-5-6;7-6(9)5-3-1-2-4-8-5/h1-5H,(H,8,9);1-4H,(H2,7,9)
InChIKeyCOOMRDOXJODJJW-UHFFFAOYSA-N
XLogP1.57
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;molecular hydrogen;pyridine-2-carboxamide
CID 145071770
benzoic acid;pyrimidine-4-carboxamide
CID 174949341
2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide
CID 174601902
acetyl bromide;pyridine-2-carboxamide
CID 175817538
pyridine-2-carboxylic acid;pyridine-4-carboxylic acid
CID 70268469
gadolinium;pyridine-2-carboxylic acid
CID 175231422
bis((2S)-2-hydroxy-2-phenylacetic acid);bis(pyridine-2-carboxamide)
CID 139198136
tert-butyl carbamate;pyridine-2-carboxamide
CID 175209186
CID 173156131
CID 173156131
pyridine-2-carboxylic acid;tungsten
CID 88770661
hafnium;pyridine-2-carboxylic acid
CID 175130925
CID 175246691
CID 175246691

Frequently Asked Questions

What is the IUPAC name of benzoic acid;pyridine-2-carboxamide?
The IUPAC name of benzoic acid;pyridine-2-carboxamide (CID 67821051) is benzoic acid;pyridine-2-carboxamide.
What is the SMILES notation for benzoic acid;pyridine-2-carboxamide?
The canonical SMILES for benzoic acid;pyridine-2-carboxamide is NC(=O)c1ccccn1.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;pyridine-2-carboxamide?
The InChIKey is COOMRDOXJODJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C6H6N2O/c8-7(9)6-4-2-1-3-5-6;7-6(9)5-3-1-2-4-8-5/h1-5H,(H,8,9);1-4H,(H2,7,9).
What are the key properties of benzoic acid;pyridine-2-carboxamide?
benzoic acid;pyridine-2-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;pyridine-2-carboxamide is sourced from PubChem (CID 67821051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).