6-bromo-5-methyl-N-pyridin-3-ylpyridine-2-carboxamide

C12H10BrN3O — CID 163252988

IUPAC6-bromo-5-methyl-N-pyridin-3-ylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccnc2)nc1Br
InChIInChI=1S/C12H10BrN3O/c1-8-4-5-10(16-11(8)13)12(17)15-9-3-2-6-14-7-9/h2-7H,1H3,(H,15,17)
InChIKeyBJGRNLMEAALCCZ-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.80
Rot. Bonds2

About 6-bromo-5-methyl-N-pyridin-3-ylpyridine-2-carboxamide

6-bromo-5-methyl-N-pyridin-3-ylpyridine-2-carboxamide (PubChem CID 163252988) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 6-bromo-5-methyl-N-pyridin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-5-methyl-N-pyridin-3-ylpyridine-2-carboxamide
PubChem CID163252988
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name6-bromo-5-methyl-N-pyridin-3-ylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccnc2)nc1Br
InChIInChI=1S/C12H10BrN3O/c1-8-4-5-10(16-11(8)13)12(17)15-9-3-2-6-14-7-9/h2-7H,1H3,(H,15,17)
InChIKeyBJGRNLMEAALCCZ-UHFFFAOYSA-N
XLogP2.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide
CID 155927483
2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 141426406
2-chloro-N-pyridin-3-ylpyrimidine-4-carboxamide;fluoromethane
CID 142362008
2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide
CID 144765692
4,5-dimethyl-N-pyridin-3-ylpyridine-3-carboxamide;molecular hydrogen
CID 144555172
7-fluoro-N-pyridin-3-ylquinoline-2-carboxamide
CID 110485373
2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide
CID 10192785
1-(6-methyl-2-pyridinyl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 1491423
N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide
CID 126617764
5-carbamothioyl-N-pyridin-3-ylpyridine-2-carboxamide
CID 63723754
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methyl-N-pyridin-3-ylpyridine-2-carboxamide?
The IUPAC name of 6-bromo-5-methyl-N-pyridin-3-ylpyridine-2-carboxamide (CID 163252988) is 6-bromo-5-methyl-N-pyridin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-5-methyl-N-pyridin-3-ylpyridine-2-carboxamide?
The canonical SMILES for 6-bromo-5-methyl-N-pyridin-3-ylpyridine-2-carboxamide is Cc1ccc(C(=O)Nc2cccnc2)nc1Br.
What is the InChIKey of 6-bromo-5-methyl-N-pyridin-3-ylpyridine-2-carboxamide?
The InChIKey is BJGRNLMEAALCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c1-8-4-5-10(16-11(8)13)12(17)15-9-3-2-6-14-7-9/h2-7H,1H3,(H,15,17).
What are the key properties of 6-bromo-5-methyl-N-pyridin-3-ylpyridine-2-carboxamide?
6-bromo-5-methyl-N-pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 292.14 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methyl-N-pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 163252988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).