5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid

C13H10ClN3O3 — CID 107371536

IUPAC5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2cnc(Cl)cn2)cc1C(=O)O
InChIInChI=1S/C13H10ClN3O3/c1-7-2-3-8(4-9(7)13(19)20)17-12(18)10-5-16-11(14)6-15-10/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyOGDHLMSRAAZHGU-UHFFFAOYSA-N
MW291.69 g/mol
LogP2.39
Rot. Bonds3

About 5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid

5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid (PubChem CID 107371536) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid
PubChem CID107371536
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2cnc(Cl)cn2)cc1C(=O)O
InChIInChI=1S/C13H10ClN3O3/c1-7-2-3-8(4-9(7)13(19)20)17-12(18)10-5-16-11(14)6-15-10/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyOGDHLMSRAAZHGU-UHFFFAOYSA-N
XLogP2.39
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371455
2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371486
5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 107371641
5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 103817189
N-(5-acetamido-2-methylphenyl)-5-chloropyrazine-2-carboxamide
CID 103803621
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 82877012
3-[(5-chloropyrazine-2-carbonyl)amino]-4-methylbenzoic acid
CID 107371391
5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid
CID 63653152
4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 62960045
4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid
CID 107371405
5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704
2-[(5-chloropyrazine-2-carbonyl)amino]-4,5-difluorobenzoic acid
CID 107371511

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid?
The IUPAC name of 5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid (CID 107371536) is 5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid is Cc1ccc(NC(=O)c2cnc(Cl)cn2)cc1C(=O)O.
What is the InChIKey of 5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid?
The InChIKey is OGDHLMSRAAZHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c1-7-2-3-8(4-9(7)13(19)20)17-12(18)10-5-16-11(14)6-15-10/h2-6H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid?
5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid has a molecular weight of 291.69 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 107371536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).