5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide

C10H12BrClN2O — CID 114294391

IUPAC5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide
SMILESCCC(CCl)NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C10H12BrClN2O/c1-2-8(5-12)14-10(15)9-4-3-7(11)6-13-9/h3-4,6,8H,2,5H2,1H3,(H,14,15)
InChIKeyYLYIFILYBXULRK-UHFFFAOYSA-N
MW291.58 g/mol
LogP2.59
Rot. Bonds4

About 5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide

5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide (PubChem CID 114294391) has the molecular formula C10H12BrClN2O and a molecular weight of 291.58 g/mol. Its IUPAC name is 5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide
PubChem CID114294391
Molecular FormulaC10H12BrClN2O
Molecular Weight291.58 g/mol
Exact Mass289.98
IUPAC Name5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide
SMILESCCC(CCl)NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C10H12BrClN2O/c1-2-8(5-12)14-10(15)9-4-3-7(11)6-13-9/h3-4,6,8H,2,5H2,1H3,(H,14,15)
InChIKeyYLYIFILYBXULRK-UHFFFAOYSA-N
XLogP2.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.58
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 63837989
5-bromo-N-pent-1-yn-3-ylpyridine-2-carboxamide
CID 103579168
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
N-(2-aminobutyl)-5-bromopyridine-2-carboxamide
CID 63731150
5-bromo-N-heptan-2-ylpyridine-2-carboxamide
CID 55153825
(2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid
CID 107562920
5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide
CID 55210499
N-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide
CID 114294381
5-(methylamino)-N-pentan-3-ylpyridine-2-carboxamide
CID 104639887
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide
CID 62953884
5-bromo-N-(1-cyanoethyl)pyridine-2-carboxamide
CID 62959350
5-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-2-carboxamide
CID 103920023

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide (CID 114294391) is 5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide is CCC(CCl)NC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide?
The InChIKey is YLYIFILYBXULRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O/c1-2-8(5-12)14-10(15)9-4-3-7(11)6-13-9/h3-4,6,8H,2,5H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide?
5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide has a molecular weight of 291.58 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 114294391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).