6-bromo-N-propan-2-ylpyridine-2-carboxamide

C9H11BrN2O — CID 18668624

IUPAC6-bromo-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cccc(Br)n1
InChIInChI=1S/C9H11BrN2O/c1-6(2)11-9(13)7-4-3-5-8(10)12-7/h3-6H,1-2H3,(H,11,13)
InChIKeyGEDJFMDGELZRJB-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.98
Rot. Bonds2

About 6-bromo-N-propan-2-ylpyridine-2-carboxamide

6-bromo-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 18668624) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 6-bromo-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-propan-2-ylpyridine-2-carboxamide
PubChem CID18668624
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name6-bromo-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cccc(Br)n1
InChIInChI=1S/C9H11BrN2O/c1-6(2)11-9(13)7-4-3-5-8(10)12-7/h3-6H,1-2H3,(H,11,13)
InChIKeyGEDJFMDGELZRJB-UHFFFAOYSA-N
XLogP1.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide
CID 103874025
2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 137487537
6-bromo-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
CID 103874262
6-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 24903389
2-N-(2-bromophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093772
6-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 103917016
6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide
CID 21352691
6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide
CID 103875259
6-bromo-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 103889839
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 113351414
6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 103916694
6-bromo-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide
CID 103879470

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-propan-2-ylpyridine-2-carboxamide (CID 18668624) is 6-bromo-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-propan-2-ylpyridine-2-carboxamide is CC(C)NC(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is GEDJFMDGELZRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-6(2)11-9(13)7-4-3-5-8(10)12-7/h3-6H,1-2H3,(H,11,13).
What are the key properties of 6-bromo-N-propan-2-ylpyridine-2-carboxamide?
6-bromo-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 243.10 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 18668624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).