5-bromo-N-(1-cyanoethyl)pyridine-2-carboxamide

C9H8BrN3O — CID 62959350

IUPAC5-bromo-N-(1-cyanoethyl)pyridine-2-carboxamide
SMILESCC(C#N)NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C9H8BrN3O/c1-6(4-11)13-9(14)8-3-2-7(10)5-12-8/h2-3,5-6H,1H3,(H,13,14)
InChIKeyLXGFNRMAMZJERZ-UHFFFAOYSA-N
MW254.09 g/mol
LogP1.49
Rot. Bonds2

About 5-bromo-N-(1-cyanoethyl)pyridine-2-carboxamide

5-bromo-N-(1-cyanoethyl)pyridine-2-carboxamide (PubChem CID 62959350) has the molecular formula C9H8BrN3O and a molecular weight of 254.09 g/mol. Its IUPAC name is 5-bromo-N-(1-cyanoethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-cyanoethyl)pyridine-2-carboxamide
PubChem CID62959350
Molecular FormulaC9H8BrN3O
Molecular Weight254.09 g/mol
Exact Mass252.99
IUPAC Name5-bromo-N-(1-cyanoethyl)pyridine-2-carboxamide
SMILESCC(C#N)NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C9H8BrN3O/c1-6(4-11)13-9(14)8-3-2-7(10)5-12-8/h2-3,5-6H,1H3,(H,13,14)
InChIKeyLXGFNRMAMZJERZ-UHFFFAOYSA-N
XLogP1.49
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 55154383
5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 63837989
5-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 62954039
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide
CID 62953884
5-[(6-bromo-2-pyridinyl)oxymethyl]-N-[(1S)-1-cyanoethyl]pyridine-2-carboxamide
CID 166088644
5-bromo-N-heptan-2-ylpyridine-2-carboxamide
CID 55153825
5-bromo-N-pent-1-yn-3-ylpyridine-2-carboxamide
CID 103579168
5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide
CID 114294391
N-(4-amino-4-sulfanylidenebutan-2-yl)-5-bromopyridine-2-carboxamide
CID 62960438
1-(5-bromo-2-pyridinyl)-2-(methylamino)propan-1-one
CID 155973765
N-[(1S)-1-cyanoethyl]-4-fluoro-5-propan-2-ylpyridine-2-carboxamide
CID 167320750

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyanoethyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-cyanoethyl)pyridine-2-carboxamide (CID 62959350) is 5-bromo-N-(1-cyanoethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-cyanoethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-cyanoethyl)pyridine-2-carboxamide is CC(C#N)NC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(1-cyanoethyl)pyridine-2-carboxamide?
The InChIKey is LXGFNRMAMZJERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O/c1-6(4-11)13-9(14)8-3-2-7(10)5-12-8/h2-3,5-6H,1H3,(H,13,14).
What are the key properties of 5-bromo-N-(1-cyanoethyl)pyridine-2-carboxamide?
5-bromo-N-(1-cyanoethyl)pyridine-2-carboxamide has a molecular weight of 254.09 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyanoethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62959350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).