6-bromo-N-(2-pyrazol-1-ylphenyl)pyridine-2-carboxamide

C15H11BrN4O — CID 103874264

IUPAC6-bromo-N-(2-pyrazol-1-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1-n1cccn1)c1cccc(Br)n1
InChIInChI=1S/C15H11BrN4O/c16-14-8-3-6-12(18-14)15(21)19-11-5-1-2-7-13(11)20-10-4-9-17-20/h1-10H,(H,19,21)
InChIKeyMOECPZVDSYXOCO-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.28
Rot. Bonds3

About 6-bromo-N-(2-pyrazol-1-ylphenyl)pyridine-2-carboxamide

6-bromo-N-(2-pyrazol-1-ylphenyl)pyridine-2-carboxamide (PubChem CID 103874264) has the molecular formula C15H11BrN4O and a molecular weight of 343.18 g/mol. Its IUPAC name is 6-bromo-N-(2-pyrazol-1-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-pyrazol-1-ylphenyl)pyridine-2-carboxamide
PubChem CID103874264
Molecular FormulaC15H11BrN4O
Molecular Weight343.18 g/mol
Exact Mass342.01
IUPAC Name6-bromo-N-(2-pyrazol-1-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1-n1cccn1)c1cccc(Br)n1
InChIInChI=1S/C15H11BrN4O/c16-14-8-3-6-12(18-14)15(21)19-11-5-1-2-7-13(11)20-10-4-9-17-20/h1-10H,(H,19,21)
InChIKeyMOECPZVDSYXOCO-UHFFFAOYSA-N
XLogP3.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(2-pyrazol-1-ylphenyl)pyridazine-3-carboxamide
CID 61041740
3-bromo-2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide
CID 132992182
6-oxo-N-(2-pyrazol-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61276124
4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide
CID 47045211
4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide
CID 79200496
6-bromo-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 103874036
6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 103889509
3-bromo-1-methyl-N-(2-pyrazol-1-ylphenyl)indole-2-carboxamide
CID 55932053
1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea
CID 110470431
9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide
CID 11696276
6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 103874055
3-methyl-N-(2-pyrazol-1-ylphenyl)but-2-enamide
CID 47234607

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-pyrazol-1-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-pyrazol-1-ylphenyl)pyridine-2-carboxamide (CID 103874264) is 6-bromo-N-(2-pyrazol-1-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-pyrazol-1-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-pyrazol-1-ylphenyl)pyridine-2-carboxamide is O=C(Nc1ccccc1-n1cccn1)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(2-pyrazol-1-ylphenyl)pyridine-2-carboxamide?
The InChIKey is MOECPZVDSYXOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O/c16-14-8-3-6-12(18-14)15(21)19-11-5-1-2-7-13(11)20-10-4-9-17-20/h1-10H,(H,19,21).
What are the key properties of 6-bromo-N-(2-pyrazol-1-ylphenyl)pyridine-2-carboxamide?
6-bromo-N-(2-pyrazol-1-ylphenyl)pyridine-2-carboxamide has a molecular weight of 343.18 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-pyrazol-1-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 103874264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).