6-(2-cyanoanilino)pyrazine-2-carboxylic acid

C12H8N4O2 — CID 66457354

IUPAC6-(2-cyanoanilino)pyrazine-2-carboxylic acid
SMILESN#Cc1ccccc1Nc1cncc(C(=O)O)n1
InChIInChI=1S/C12H8N4O2/c13-5-8-3-1-2-4-9(8)15-11-7-14-6-10(16-11)12(17)18/h1-4,6-7H,(H,15,16)(H,17,18)
InChIKeyRCMHHEWXTUFALH-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.79
Rot. Bonds3

About 6-(2-cyanoanilino)pyrazine-2-carboxylic acid

6-(2-cyanoanilino)pyrazine-2-carboxylic acid (PubChem CID 66457354) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 6-(2-cyanoanilino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-cyanoanilino)pyrazine-2-carboxylic acid
PubChem CID66457354
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name6-(2-cyanoanilino)pyrazine-2-carboxylic acid
SMILESN#Cc1ccccc1Nc1cncc(C(=O)O)n1
InChIInChI=1S/C12H8N4O2/c13-5-8-3-1-2-4-9(8)15-11-7-14-6-10(16-11)12(17)18/h1-4,6-7H,(H,15,16)(H,17,18)
InChIKeyRCMHHEWXTUFALH-UHFFFAOYSA-N
XLogP1.79
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid
CID 107468727
6-(2,3-dichloroanilino)pyrazine-2-carboxylic acid
CID 66458555
6-[2-(methoxymethyl)anilino]pyrazine-2-carboxylic acid
CID 66451826
6-(2-chloro-3-methylanilino)pyrazine-2-carboxylic acid
CID 114250898
6-(quinolin-5-ylamino)pyrazine-2-carboxylic acid
CID 66456935
5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294656
N-[6-(2-cyanoanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113051134
methyl 5-(2-cyanoanilino)pyrazine-2-carboxylate
CID 114059701
6-(4-carbamoylanilino)pyrazine-2-carboxylic acid
CID 66458122
2-[(3-anilino-1,2,4-triazin-5-yl)amino]benzonitrile
CID 112961729
4-[[4-(2-cyanoanilino)pyrimidin-2-yl]amino]benzoic acid;hydrochloride
CID 71499634
2-(2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61003027

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanoanilino)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(2-cyanoanilino)pyrazine-2-carboxylic acid (CID 66457354) is 6-(2-cyanoanilino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(2-cyanoanilino)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(2-cyanoanilino)pyrazine-2-carboxylic acid is N#Cc1ccccc1Nc1cncc(C(=O)O)n1.
What is the InChIKey of 6-(2-cyanoanilino)pyrazine-2-carboxylic acid?
The InChIKey is RCMHHEWXTUFALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c13-5-8-3-1-2-4-9(8)15-11-7-14-6-10(16-11)12(17)18/h1-4,6-7H,(H,15,16)(H,17,18).
What are the key properties of 6-(2-cyanoanilino)pyrazine-2-carboxylic acid?
6-(2-cyanoanilino)pyrazine-2-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyanoanilino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66457354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).