4-[(6-chloropyrazin-2-yl)amino]-2-methylbenzoic acid

C12H10ClN3O2 — CID 114335396

IUPAC4-[(6-chloropyrazin-2-yl)amino]-2-methylbenzoic acid
SMILESCc1cc(Nc2cncc(Cl)n2)ccc1C(=O)O
InChIInChI=1S/C12H10ClN3O2/c1-7-4-8(2-3-9(7)12(17)18)15-11-6-14-5-10(13)16-11/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyLSHUOCIHHLUGQG-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.88
Rot. Bonds3

About 4-[(6-chloropyrazin-2-yl)amino]-2-methylbenzoic acid

4-[(6-chloropyrazin-2-yl)amino]-2-methylbenzoic acid (PubChem CID 114335396) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 4-[(6-chloropyrazin-2-yl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[(6-chloropyrazin-2-yl)amino]-2-methylbenzoic acid
PubChem CID114335396
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name4-[(6-chloropyrazin-2-yl)amino]-2-methylbenzoic acid
SMILESCc1cc(Nc2cncc(Cl)n2)ccc1C(=O)O
InChIInChI=1S/C12H10ClN3O2/c1-7-4-8(2-3-9(7)12(17)18)15-11-6-14-5-10(13)16-11/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyLSHUOCIHHLUGQG-UHFFFAOYSA-N
XLogP2.88
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(quinoxalin-2-ylamino)benzoic acid
CID 62360974
4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbenzoic acid
CID 136958715
4-(4-bromo-3,5-dimethylanilino)-2-methylbenzoic acid
CID 107575463
2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid
CID 43343601
6-(4-bromo-3-methylanilino)-3-chloropyridine-2-carboxylic acid
CID 29038766
4-(3,4-difluoroanilino)-2-methylbenzoic acid
CID 113399992
2-methyl-4-[(3-methylpyrazin-2-yl)amino]benzoic acid
CID 83065152
methyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate
CID 66457541
4-[(6-ethoxypyrazin-2-yl)amino]-2-fluorobenzoic acid
CID 107793320
6-(4-bromo-3-chloroanilino)pyrazine-2-carboxylic acid
CID 107613331
4-[(4-bromo-1,3-thiazol-2-yl)amino]-2-methylbenzoic acid
CID 79398841
4-[(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylbenzoic acid
CID 66284982

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloropyrazin-2-yl)amino]-2-methylbenzoic acid?
The IUPAC name of 4-[(6-chloropyrazin-2-yl)amino]-2-methylbenzoic acid (CID 114335396) is 4-[(6-chloropyrazin-2-yl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 4-[(6-chloropyrazin-2-yl)amino]-2-methylbenzoic acid?
The canonical SMILES for 4-[(6-chloropyrazin-2-yl)amino]-2-methylbenzoic acid is Cc1cc(Nc2cncc(Cl)n2)ccc1C(=O)O.
What is the InChIKey of 4-[(6-chloropyrazin-2-yl)amino]-2-methylbenzoic acid?
The InChIKey is LSHUOCIHHLUGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-7-4-8(2-3-9(7)12(17)18)15-11-6-14-5-10(13)16-11/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(6-chloropyrazin-2-yl)amino]-2-methylbenzoic acid?
4-[(6-chloropyrazin-2-yl)amino]-2-methylbenzoic acid has a molecular weight of 263.68 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloropyrazin-2-yl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 114335396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).