2-(pyrimidine-5-carbonylamino)benzoic acid

C12H9N3O3 — CID 110466857

IUPAC2-(pyrimidine-5-carbonylamino)benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cncnc1
InChIInChI=1S/C12H9N3O3/c16-11(8-5-13-7-14-6-8)15-10-4-2-1-3-9(10)12(17)18/h1-7H,(H,15,16)(H,17,18)
InChIKeyWMPMTFNBXLYVBR-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.43
Rot. Bonds3

About 2-(pyrimidine-5-carbonylamino)benzoic acid

2-(pyrimidine-5-carbonylamino)benzoic acid (PubChem CID 110466857) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-(pyrimidine-5-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-(pyrimidine-5-carbonylamino)benzoic acid
PubChem CID110466857
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name2-(pyrimidine-5-carbonylamino)benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cncnc1
InChIInChI=1S/C12H9N3O3/c16-11(8-5-13-7-14-6-8)15-10-4-2-1-3-9(10)12(17)18/h1-7H,(H,15,16)(H,17,18)
InChIKeyWMPMTFNBXLYVBR-UHFFFAOYSA-N
XLogP1.43
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromopyridine-3-carbonyl)amino]benzoic acid
CID 805036
2-[(6-fluoropyridine-3-carbonyl)amino]benzoic acid
CID 63977827
2-methyl-6-(pyrimidine-5-carbonylamino)benzoic acid
CID 102921528
ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid
CID 143368686
5-nitro-2-(pyrimidine-5-carbonylamino)benzoic acid
CID 102921366
2-[(3,5-dimethylbenzoyl)amino]benzoic acid
CID 16771715
bis(2-benzamidobenzoic acid);piperazine
CID 3045073
2-(pyrimidin-5-ylcarbamoyl)benzoic acid
CID 107587534
2-(pyrimidin-5-ylmethylamino)benzoic acid
CID 62758765
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
CID 102921362
4-hydroxy-3-(pyrimidine-5-carbonylamino)benzoic acid
CID 107264598

Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidine-5-carbonylamino)benzoic acid?
The IUPAC name of 2-(pyrimidine-5-carbonylamino)benzoic acid (CID 110466857) is 2-(pyrimidine-5-carbonylamino)benzoic acid.
What is the SMILES notation for 2-(pyrimidine-5-carbonylamino)benzoic acid?
The canonical SMILES for 2-(pyrimidine-5-carbonylamino)benzoic acid is O=C(Nc1ccccc1C(=O)O)c1cncnc1.
What is the InChIKey of 2-(pyrimidine-5-carbonylamino)benzoic acid?
The InChIKey is WMPMTFNBXLYVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c16-11(8-5-13-7-14-6-8)15-10-4-2-1-3-9(10)12(17)18/h1-7H,(H,15,16)(H,17,18).
What are the key properties of 2-(pyrimidine-5-carbonylamino)benzoic acid?
2-(pyrimidine-5-carbonylamino)benzoic acid has a molecular weight of 243.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrimidine-5-carbonylamino)benzoic acid is sourced from PubChem (CID 110466857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).