3-[(6-chloro-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid

C11H7ClN4O3 — CID 39353282

IUPAC3-[(6-chloro-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C11H7ClN4O3/c12-7-2-1-6(5-15-7)16-10(17)8-9(11(18)19)14-4-3-13-8/h1-5H,(H,16,17)(H,18,19)
InChIKeyYUKNQGIMCMCGJD-UHFFFAOYSA-N
MW278.66 g/mol
LogP1.48
Rot. Bonds3

About 3-[(6-chloro-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid

3-[(6-chloro-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 39353282) has the molecular formula C11H7ClN4O3 and a molecular weight of 278.66 g/mol. Its IUPAC name is 3-[(6-chloro-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(6-chloro-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID39353282
Molecular FormulaC11H7ClN4O3
Molecular Weight278.66 g/mol
Exact Mass278.02
IUPAC Name3-[(6-chloro-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C11H7ClN4O3/c12-7-2-1-6(5-15-7)16-10(17)8-9(11(18)19)14-4-3-13-8/h1-5H,(H,16,17)(H,18,19)
InChIKeyYUKNQGIMCMCGJD-UHFFFAOYSA-N
XLogP1.48
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.66
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[(6-acetamido-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
CID 2813206
3-[(3-carboxy-4-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270975
3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide
CID 78929855
3-[(4-carbamoyl-3-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 56762366
6-chloro-N-(6-chloro-3-pyridinyl)pyrazine-2-carboxamide
CID 103186985
2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113247998
N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
CID 103875090
3-[(4-imidazol-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39035583
5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 107371641
3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 739737
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

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(6-chloro-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid (CID 39353282) is 3-[(6-chloro-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(6-chloro-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(6-chloro-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1C(=O)Nc1ccc(Cl)nc1.
What is the InChIKey of 3-[(6-chloro-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is YUKNQGIMCMCGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O3/c12-7-2-1-6(5-15-7)16-10(17)8-9(11(18)19)14-4-3-13-8/h1-5H,(H,16,17)(H,18,19).
What are the key properties of 3-[(6-chloro-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid?
3-[(6-chloro-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 278.66 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 39353282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).