2-bromo-N-pyrazin-2-ylpyridine-3-carboxamide

C10H7BrN4O — CID 104853695

IUPAC2-bromo-N-pyrazin-2-ylpyridine-3-carboxamide
SMILESO=C(Nc1cnccn1)c1cccnc1Br
InChIInChI=1S/C10H7BrN4O/c11-9-7(2-1-3-14-9)10(16)15-8-6-12-4-5-13-8/h1-6H,(H,13,15,16)
InChIKeyYQBXNTXRBXZORH-UHFFFAOYSA-N
MW279.10 g/mol
LogP1.89
Rot. Bonds2

About 2-bromo-N-pyrazin-2-ylpyridine-3-carboxamide

2-bromo-N-pyrazin-2-ylpyridine-3-carboxamide (PubChem CID 104853695) has the molecular formula C10H7BrN4O and a molecular weight of 279.10 g/mol. Its IUPAC name is 2-bromo-N-pyrazin-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-pyrazin-2-ylpyridine-3-carboxamide
PubChem CID104853695
Molecular FormulaC10H7BrN4O
Molecular Weight279.10 g/mol
Exact Mass277.98
IUPAC Name2-bromo-N-pyrazin-2-ylpyridine-3-carboxamide
SMILESO=C(Nc1cnccn1)c1cccnc1Br
InChIInChI=1S/C10H7BrN4O/c11-9-7(2-1-3-14-9)10(16)15-8-6-12-4-5-13-8/h1-6H,(H,13,15,16)
InChIKeyYQBXNTXRBXZORH-UHFFFAOYSA-N
XLogP1.89
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.10
LogP ≤ 51.89
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

2-bromo-N-pyrazin-2-ylbenzamide
CID 43409356
2-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103754643
2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide
CID 114036184
2-amino-3-methyl-N-pyrazin-2-ylbenzamide
CID 43616017
2-bromo-4-chloro-N-pyrazin-2-ylbenzamide
CID 104853699
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 103752138
2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide
CID 103754637
3-fluoro-2-(methylamino)-N-pyrazin-2-ylbenzamide
CID 62661875
2-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 103754100
2-chloro-5-hydroxy-N-pyrazin-2-ylbenzamide
CID 106501440
2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
CID 103842464
2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide
CID 103751776

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-pyrazin-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-pyrazin-2-ylpyridine-3-carboxamide (CID 104853695) is 2-bromo-N-pyrazin-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-pyrazin-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-pyrazin-2-ylpyridine-3-carboxamide is O=C(Nc1cnccn1)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-pyrazin-2-ylpyridine-3-carboxamide?
The InChIKey is YQBXNTXRBXZORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4O/c11-9-7(2-1-3-14-9)10(16)15-8-6-12-4-5-13-8/h1-6H,(H,13,15,16).
What are the key properties of 2-bromo-N-pyrazin-2-ylpyridine-3-carboxamide?
2-bromo-N-pyrazin-2-ylpyridine-3-carboxamide has a molecular weight of 279.10 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-pyrazin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 104853695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).