3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid

C12H9N3O4 — CID 739737

IUPAC3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C12H9N3O4/c16-8-3-1-2-7(6-8)15-11(17)9-10(12(18)19)14-5-4-13-9/h1-6,16H,(H,15,17)(H,18,19)
InChIKeyDJWDPCVUYDHXQM-UHFFFAOYSA-N
MW259.22 g/mol
LogP1.13
Rot. Bonds3

About 3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid

3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 739737) has the molecular formula C12H9N3O4 and a molecular weight of 259.22 g/mol. Its IUPAC name is 3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID739737
Molecular FormulaC12H9N3O4
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC Name3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C12H9N3O4/c16-8-3-1-2-7(6-8)15-11(17)9-10(12(18)19)14-5-4-13-9/h1-6,16H,(H,15,17)(H,18,19)
InChIKeyDJWDPCVUYDHXQM-UHFFFAOYSA-N
XLogP1.13
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-carboxypyrazine-2-carbonyl)amino]phenolate
CID 54684810
3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866755
3-[[3-(furan-2-carbonylamino)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 53368628
3-[[3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 56763143
3-[(4-acetyl-3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 56762340
3-[[3-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 56763357
3-[(3-carboxy-4-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270975
3-(2,1,3-benzothiadiazol-5-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 39044412
3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741844
3,6-dichloro-N-(3-hydroxyphenyl)pyridine-2-carboxamide
CID 60692218
3-[(4-carbamoyl-3-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 56762366
1-(3-hydroxyphenyl)-3-pyrimidin-2-ylurea
CID 108895771

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid (CID 739737) is 3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1C(=O)Nc1cccc(O)c1.
What is the InChIKey of 3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is DJWDPCVUYDHXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4/c16-8-3-1-2-7(6-8)15-11(17)9-10(12(18)19)14-5-4-13-9/h1-6,16H,(H,15,17)(H,18,19).
What are the key properties of 3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid?
3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 259.22 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 739737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).