2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid

C12H7Cl2N3O3 — CID 107371486

IUPAC2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(Cl)c1)c1cnc(Cl)cn1
InChIInChI=1S/C12H7Cl2N3O3/c13-8-3-6(1-2-7(8)12(19)20)17-11(18)9-4-16-10(14)5-15-9/h1-5H,(H,17,18)(H,19,20)
InChIKeyPQROJVZMDUVCHH-UHFFFAOYSA-N
MW312.11 g/mol
LogP2.73
Rot. Bonds3

About 2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid

2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid (PubChem CID 107371486) has the molecular formula C12H7Cl2N3O3 and a molecular weight of 312.11 g/mol. Its IUPAC name is 2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
PubChem CID107371486
Molecular FormulaC12H7Cl2N3O3
Molecular Weight312.11 g/mol
Exact Mass310.99
IUPAC Name2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(Cl)c1)c1cnc(Cl)cn1
InChIInChI=1S/C12H7Cl2N3O3/c13-8-3-6(1-2-7(8)12(19)20)17-11(18)9-4-16-10(14)5-15-9/h1-5H,(H,17,18)(H,19,20)
InChIKeyPQROJVZMDUVCHH-UHFFFAOYSA-N
XLogP2.73
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 52.73
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
5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107371536
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
5-chloro-N-(3,5-dichloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 107573378
2-[(5-chloropyrazine-2-carbonyl)amino]-4,5-difluorobenzoic acid
CID 107371511
N-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide
CID 103817085
2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 61398577
2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid
CID 114917869
2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid
CID 61398494
5-chloro-N-quinolin-6-ylpyrazine-2-carboxamide
CID 103803742
2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 19439718

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid (CID 107371486) is 2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid is O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1cnc(Cl)cn1.
What is the InChIKey of 2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid?
The InChIKey is PQROJVZMDUVCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O3/c13-8-3-6(1-2-7(8)12(19)20)17-11(18)9-4-16-10(14)5-15-9/h1-5H,(H,17,18)(H,19,20).
What are the key properties of 2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid?
2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid has a molecular weight of 312.11 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 107371486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).