3-[(3-carboxypyrazine-2-carbonyl)amino]phenolate

C12H8N3O4- — CID 54684810

IUPAC3-[(3-carboxypyrazine-2-carbonyl)amino]phenolate
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)/p-1
InChIKeyDJWDPCVUYDHXQM-UHFFFAOYSA-M
MW258.21 g/mol
LogP0.50
Rot. Bonds3

About 3-[(3-carboxypyrazine-2-carbonyl)amino]phenolate

3-[(3-carboxypyrazine-2-carbonyl)amino]phenolate (PubChem CID 54684810) has the molecular formula C12H8N3O4- and a molecular weight of 258.21 g/mol. Its IUPAC name is 3-[(3-carboxypyrazine-2-carbonyl)amino]phenolate.

Molecular Properties

Compound Name3-[(3-carboxypyrazine-2-carbonyl)amino]phenolate
PubChem CID54684810
Molecular FormulaC12H8N3O4-
Molecular Weight258.21 g/mol
Exact Mass258.05
IUPAC Name3-[(3-carboxypyrazine-2-carbonyl)amino]phenolate
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)/p-1
InChIKeyDJWDPCVUYDHXQM-UHFFFAOYSA-M
XLogP0.50
TPSA115.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 739737
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-[[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-[(4-acetyl-3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 56762340
3-[(4-carbamoyl-3-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 56762366
3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate
CID 6989867
3-[(6-chloro-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39353282
3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741844

Frequently Asked Questions

What is the IUPAC name of 3-[(3-carboxypyrazine-2-carbonyl)amino]phenolate?
The IUPAC name of 3-[(3-carboxypyrazine-2-carbonyl)amino]phenolate (CID 54684810) is 3-[(3-carboxypyrazine-2-carbonyl)amino]phenolate.
What is the SMILES notation for 3-[(3-carboxypyrazine-2-carbonyl)amino]phenolate?
The canonical SMILES for 3-[(3-carboxypyrazine-2-carbonyl)amino]phenolate is O=C(O)c1nccnc1C(=O)Nc1cccc([O-])c1.
What is the InChIKey of 3-[(3-carboxypyrazine-2-carbonyl)amino]phenolate?
The InChIKey is DJWDPCVUYDHXQM-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 3-[(3-carboxypyrazine-2-carbonyl)amino]phenolate?
3-[(3-carboxypyrazine-2-carbonyl)amino]phenolate has a molecular weight of 258.21 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-carboxypyrazine-2-carbonyl)amino]phenolate is sourced from PubChem (CID 54684810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).