3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid

C13H8ClN3O5 — CID 53270981

IUPAC3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1ccc(Cl)c(NC(=O)c2nccnc2C(=O)O)c1
InChIInChI=1S/C13H8ClN3O5/c14-7-2-1-6(12(19)20)5-8(7)17-11(18)9-10(13(21)22)16-4-3-15-9/h1-5H,(H,17,18)(H,19,20)(H,21,22)
InChIKeyUGMGPUTZGXSYON-UHFFFAOYSA-N
MW321.68 g/mol
LogP1.78
Rot. Bonds4

About 3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid

3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 53270981) has the molecular formula C13H8ClN3O5 and a molecular weight of 321.68 g/mol. Its IUPAC name is 3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID53270981
Molecular FormulaC13H8ClN3O5
Molecular Weight321.68 g/mol
Exact Mass321.02
IUPAC Name3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1ccc(Cl)c(NC(=O)c2nccnc2C(=O)O)c1
InChIInChI=1S/C13H8ClN3O5/c14-7-2-1-6(12(19)20)5-8(7)17-11(18)9-10(13(21)22)16-4-3-15-9/h1-5H,(H,17,18)(H,19,20)(H,21,22)
InChIKeyUGMGPUTZGXSYON-UHFFFAOYSA-N
XLogP1.78
TPSA129.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.68
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53271000
4-chloro-3-(pyridine-4-carbonylamino)benzoic acid
CID 24688561
3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866788
3-[(3-carboxy-4-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270975
4-chloro-3-(2H-triazole-4-carbonylamino)benzoic acid
CID 63283058
4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702365
4-chloro-3-[(2-chlorofuran-3-carbonyl)amino]benzoic acid
CID 106683323
3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 39315015
4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid
CID 43358856
4-chloro-3-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 114030925
4-chloro-3-[(2,5-dichlorothiophene-3-carbonyl)amino]benzoic acid
CID 107959571
3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic acid
CID 28675243

Frequently Asked Questions

What is the IUPAC name of 3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid (CID 53270981) is 3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1ccc(Cl)c(NC(=O)c2nccnc2C(=O)O)c1.
What is the InChIKey of 3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is UGMGPUTZGXSYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O5/c14-7-2-1-6(12(19)20)5-8(7)17-11(18)9-10(13(21)22)16-4-3-15-9/h1-5H,(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid?
3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 321.68 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 53270981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).