4-[(6-chloropyrazine-2-carbonyl)amino]-3-hydroxybenzoic acid

C12H8ClN3O4 — CID 136704058

IUPAC4-[(6-chloropyrazine-2-carbonyl)amino]-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cncc(Cl)n2)c(O)c1
InChIInChI=1S/C12H8ClN3O4/c13-10-5-14-4-8(15-10)11(18)16-7-2-1-6(12(19)20)3-9(7)17/h1-5,17H,(H,16,18)(H,19,20)
InChIKeyGRKOYECJHUBLGA-UHFFFAOYSA-N
MW293.67 g/mol
LogP1.79
Rot. Bonds3

About 4-[(6-chloropyrazine-2-carbonyl)amino]-3-hydroxybenzoic acid

4-[(6-chloropyrazine-2-carbonyl)amino]-3-hydroxybenzoic acid (PubChem CID 136704058) has the molecular formula C12H8ClN3O4 and a molecular weight of 293.67 g/mol. Its IUPAC name is 4-[(6-chloropyrazine-2-carbonyl)amino]-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(6-chloropyrazine-2-carbonyl)amino]-3-hydroxybenzoic acid
PubChem CID136704058
Molecular FormulaC12H8ClN3O4
Molecular Weight293.67 g/mol
Exact Mass293.02
IUPAC Name4-[(6-chloropyrazine-2-carbonyl)amino]-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cncc(Cl)n2)c(O)c1
InChIInChI=1S/C12H8ClN3O4/c13-10-5-14-4-8(15-10)11(18)16-7-2-1-6(12(19)20)3-9(7)17/h1-5,17H,(H,16,18)(H,19,20)
InChIKeyGRKOYECJHUBLGA-UHFFFAOYSA-N
XLogP1.79
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.67
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-hydroxybenzoic acid
CID 60826406
4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid
CID 60825182
4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane
CID 153343129
3-hydroxy-4-[(2,3,6-trichlorobenzoyl)amino]benzoic acid
CID 108744147
6-chloro-N-(4-chloro-2-methylphenyl)pyrazine-2-carboxamide
CID 103336937
4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
CID 108744180
4-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxybenzoic acid
CID 107937789
3-[(6-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 114035227
4-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxybenzoic acid
CID 62830080
3-hydroxy-4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
CID 60826901
4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid
CID 62239229
3-hydroxy-4-(prop-2-enoylamino)benzoic acid
CID 45089793

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloropyrazine-2-carbonyl)amino]-3-hydroxybenzoic acid?
The IUPAC name of 4-[(6-chloropyrazine-2-carbonyl)amino]-3-hydroxybenzoic acid (CID 136704058) is 4-[(6-chloropyrazine-2-carbonyl)amino]-3-hydroxybenzoic acid.
What is the SMILES notation for 4-[(6-chloropyrazine-2-carbonyl)amino]-3-hydroxybenzoic acid?
The canonical SMILES for 4-[(6-chloropyrazine-2-carbonyl)amino]-3-hydroxybenzoic acid is O=C(O)c1ccc(NC(=O)c2cncc(Cl)n2)c(O)c1.
What is the InChIKey of 4-[(6-chloropyrazine-2-carbonyl)amino]-3-hydroxybenzoic acid?
The InChIKey is GRKOYECJHUBLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O4/c13-10-5-14-4-8(15-10)11(18)16-7-2-1-6(12(19)20)3-9(7)17/h1-5,17H,(H,16,18)(H,19,20).
What are the key properties of 4-[(6-chloropyrazine-2-carbonyl)amino]-3-hydroxybenzoic acid?
4-[(6-chloropyrazine-2-carbonyl)amino]-3-hydroxybenzoic acid has a molecular weight of 293.67 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloropyrazine-2-carbonyl)amino]-3-hydroxybenzoic acid is sourced from PubChem (CID 136704058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).