3-[(5-chloropyrazine-2-carbonyl)amino]-2-hydroxybenzoic acid

C12H8ClN3O4 — CID 136701768

IUPAC3-[(5-chloropyrazine-2-carbonyl)amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1O)c1cnc(Cl)cn1
InChIInChI=1S/C12H8ClN3O4/c13-9-5-14-8(4-15-9)11(18)16-7-3-1-2-6(10(7)17)12(19)20/h1-5,17H,(H,16,18)(H,19,20)
InChIKeyHVNDAOVMSVBXKK-UHFFFAOYSA-N
MW293.67 g/mol
LogP1.79
Rot. Bonds3

About 3-[(5-chloropyrazine-2-carbonyl)amino]-2-hydroxybenzoic acid

3-[(5-chloropyrazine-2-carbonyl)amino]-2-hydroxybenzoic acid (PubChem CID 136701768) has the molecular formula C12H8ClN3O4 and a molecular weight of 293.67 g/mol. Its IUPAC name is 3-[(5-chloropyrazine-2-carbonyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(5-chloropyrazine-2-carbonyl)amino]-2-hydroxybenzoic acid
PubChem CID136701768
Molecular FormulaC12H8ClN3O4
Molecular Weight293.67 g/mol
Exact Mass293.02
IUPAC Name3-[(5-chloropyrazine-2-carbonyl)amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1O)c1cnc(Cl)cn1
InChIInChI=1S/C12H8ClN3O4/c13-9-5-14-8(4-15-9)11(18)16-7-3-1-2-6(10(7)17)12(19)20/h1-5,17H,(H,16,18)(H,19,20)
InChIKeyHVNDAOVMSVBXKK-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

2-chloro-6-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371540
2-[(5-chloropyrazine-2-carbonyl)amino]-4,5-difluorobenzoic acid
CID 107371511
5-chloro-N-quinolin-8-ylpyrazine-2-carboxamide
CID 103817057
2-chloro-5-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371455
2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371486
3-[(3-bromo-4-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 107998093
5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 107371641
3-[(2-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832806
3-[(5-chloropyrazine-2-carbonyl)amino]-4-methylbenzoic acid
CID 107371391
4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid
CID 107371405
5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107371536
5-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 103817139

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloropyrazine-2-carbonyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 3-[(5-chloropyrazine-2-carbonyl)amino]-2-hydroxybenzoic acid (CID 136701768) is 3-[(5-chloropyrazine-2-carbonyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[(5-chloropyrazine-2-carbonyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 3-[(5-chloropyrazine-2-carbonyl)amino]-2-hydroxybenzoic acid is O=C(Nc1cccc(C(=O)O)c1O)c1cnc(Cl)cn1.
What is the InChIKey of 3-[(5-chloropyrazine-2-carbonyl)amino]-2-hydroxybenzoic acid?
The InChIKey is HVNDAOVMSVBXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O4/c13-9-5-14-8(4-15-9)11(18)16-7-3-1-2-6(10(7)17)12(19)20/h1-5,17H,(H,16,18)(H,19,20).
What are the key properties of 3-[(5-chloropyrazine-2-carbonyl)amino]-2-hydroxybenzoic acid?
3-[(5-chloropyrazine-2-carbonyl)amino]-2-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 3-[(5-chloropyrazine-2-carbonyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 136701768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).