3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide

C9H9BrN2O2 — CID 107517564

IUPAC3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
SMILESCC(=O)CNC(=O)c1ncccc1Br
InChIInChI=1S/C9H9BrN2O2/c1-6(13)5-12-9(14)8-7(10)3-2-4-11-8/h2-4H,5H2,1H3,(H,12,14)
InChIKeyLEEXDECGTFUNCE-UHFFFAOYSA-N
MW257.09 g/mol
LogP1.16
Rot. Bonds3

About 3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide

3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide (PubChem CID 107517564) has the molecular formula C9H9BrN2O2 and a molecular weight of 257.09 g/mol. Its IUPAC name is 3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
PubChem CID107517564
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC Name3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
SMILESCC(=O)CNC(=O)c1ncccc1Br
InChIInChI=1S/C9H9BrN2O2/c1-6(13)5-12-9(14)8-7(10)3-2-4-11-8/h2-4H,5H2,1H3,(H,12,14)
InChIKeyLEEXDECGTFUNCE-UHFFFAOYSA-N
XLogP1.16
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide
CID 107517566
3-bromo-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 107519736
3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 107517764
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 107517223
3-bromo-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-2-carboxamide
CID 107519206
3-bromo-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 107519069
3-bromo-N-ethoxypyridine-2-carboxamide
CID 107519636
3-bromo-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519719
3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519692
3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide
CID 107526349
3-bromo-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide
CID 107519323

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide (CID 107517564) is 3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide is CC(=O)CNC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide?
The InChIKey is LEEXDECGTFUNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c1-6(13)5-12-9(14)8-7(10)3-2-4-11-8/h2-4H,5H2,1H3,(H,12,14).
What are the key properties of 3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide?
3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide has a molecular weight of 257.09 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide is sourced from PubChem (CID 107517564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).