5-(2-chloro-6-methylanilino)pyrazine-2-carboxylic acid

C12H10ClN3O2 — CID 107372478

IUPAC5-(2-chloro-6-methylanilino)pyrazine-2-carboxylic acid
SMILESCc1cccc(Cl)c1Nc1cnc(C(=O)O)cn1
InChIInChI=1S/C12H10ClN3O2/c1-7-3-2-4-8(13)11(7)16-10-6-14-9(5-15-10)12(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyJEFLXYWIZAYSBS-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.88
Rot. Bonds3

About 5-(2-chloro-6-methylanilino)pyrazine-2-carboxylic acid

5-(2-chloro-6-methylanilino)pyrazine-2-carboxylic acid (PubChem CID 107372478) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 5-(2-chloro-6-methylanilino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-chloro-6-methylanilino)pyrazine-2-carboxylic acid
PubChem CID107372478
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name5-(2-chloro-6-methylanilino)pyrazine-2-carboxylic acid
SMILESCc1cccc(Cl)c1Nc1cnc(C(=O)O)cn1
InChIInChI=1S/C12H10ClN3O2/c1-7-3-2-4-8(13)11(7)16-10-6-14-9(5-15-10)12(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyJEFLXYWIZAYSBS-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-(2-chloro-6-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 80569393
5-(2,6-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286839
5-(2,6-dimethylanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290211
5-bromo-2-(2-chloro-6-methylanilino)pyridine-3-carboxylic acid
CID 66256105
5-bromo-N-(2-chloro-6-methylphenyl)pyridin-2-amine
CID 66255644
N-cyclopropyl-5-(2,6-dichloroanilino)pyrazine-2-carboxamide
CID 109271734
N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109291413
6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 66254491
N-(3-chloro-4-methylphenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide
CID 109293155
5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide
CID 107376052
N-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide
CID 109281079
6-(2-chloro-6-methylanilino)-5-nitropyridine-2-carboxylic acid
CID 114404275

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-methylanilino)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(2-chloro-6-methylanilino)pyrazine-2-carboxylic acid (CID 107372478) is 5-(2-chloro-6-methylanilino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(2-chloro-6-methylanilino)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(2-chloro-6-methylanilino)pyrazine-2-carboxylic acid is Cc1cccc(Cl)c1Nc1cnc(C(=O)O)cn1.
What is the InChIKey of 5-(2-chloro-6-methylanilino)pyrazine-2-carboxylic acid?
The InChIKey is JEFLXYWIZAYSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-7-3-2-4-8(13)11(7)16-10-6-14-9(5-15-10)12(17)18/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-(2-chloro-6-methylanilino)pyrazine-2-carboxylic acid?
5-(2-chloro-6-methylanilino)pyrazine-2-carboxylic 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 5-(2-chloro-6-methylanilino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 107372478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).