6-bromo-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide

C9H7BrN4O — CID 66462687

IUPAC6-bromo-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1ccc(Br)nc1
InChIInChI=1S/C9H7BrN4O/c10-8-2-1-6(3-11-8)9(15)14-7-4-12-13-5-7/h1-5H,(H,12,13)(H,14,15)
InChIKeyYFWNDXQTRVBTMS-UHFFFAOYSA-N
MW267.09 g/mol
LogP1.82
Rot. Bonds2

About 6-bromo-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide

6-bromo-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 66462687) has the molecular formula C9H7BrN4O and a molecular weight of 267.09 g/mol. Its IUPAC name is 6-bromo-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
PubChem CID66462687
Molecular FormulaC9H7BrN4O
Molecular Weight267.09 g/mol
Exact Mass265.98
IUPAC Name6-bromo-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1ccc(Br)nc1
InChIInChI=1S/C9H7BrN4O/c10-8-2-1-6(3-11-8)9(15)14-7-4-12-13-5-7/h1-5H,(H,12,13)(H,14,15)
InChIKeyYFWNDXQTRVBTMS-UHFFFAOYSA-N
XLogP1.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-N-(1H-pyrazol-4-yl)pyridine-2,5-dicarboxamide
CID 86858757
4-hydroxy-N-(1H-pyrazol-4-yl)benzamide
CID 43540288
N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 20784957
4-methoxy-N-(1H-pyrazol-4-yl)benzamide
CID 43429414
N-(6-bromo-3-pyridinyl)-4-fluorobenzamide
CID 44602373
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282
2-bromo-N-(1H-pyrazol-4-yl)furan-3-carboxamide
CID 106852624
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958
3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide
CID 43429529
3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43539715
N-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 43429763
6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide
CID 66464887

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide (CID 66462687) is 6-bromo-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide is O=C(Nc1cn[nH]c1)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is YFWNDXQTRVBTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O/c10-8-2-1-6(3-11-8)9(15)14-7-4-12-13-5-7/h1-5H,(H,12,13)(H,14,15).
What are the key properties of 6-bromo-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide?
6-bromo-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 267.09 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 66462687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).