2-bromo-N-(2-chloro-3-pyridinyl)propanamide

C8H8BrClN2O — CID 107903037

IUPAC2-bromo-N-(2-chloro-3-pyridinyl)propanamide
SMILESCC(Br)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C8H8BrClN2O/c1-5(9)8(13)12-6-3-2-4-11-7(6)10/h2-5H,1H3,(H,12,13)
InChIKeyJGKBKMRZJMZNEA-UHFFFAOYSA-N
MW263.52 g/mol
LogP2.46
Rot. Bonds2

About 2-bromo-N-(2-chloro-3-pyridinyl)propanamide

2-bromo-N-(2-chloro-3-pyridinyl)propanamide (PubChem CID 107903037) has the molecular formula C8H8BrClN2O and a molecular weight of 263.52 g/mol. Its IUPAC name is 2-bromo-N-(2-chloro-3-pyridinyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloro-3-pyridinyl)propanamide
PubChem CID107903037
Molecular FormulaC8H8BrClN2O
Molecular Weight263.52 g/mol
Exact Mass261.95
IUPAC Name2-bromo-N-(2-chloro-3-pyridinyl)propanamide
SMILESCC(Br)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C8H8BrClN2O/c1-5(9)8(13)12-6-3-2-4-11-7(6)10/h2-5H,1H3,(H,12,13)
InChIKeyJGKBKMRZJMZNEA-UHFFFAOYSA-N
XLogP2.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2-chloro-3-pyridinyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 9250059
2-bromo-N-quinolin-5-ylpropanamide
CID 107902854
2-bromo-N-(8-chloroquinolin-5-yl)propanamide
CID 107903962
(2S)-2-(azepan-1-yl)-N-(2-chloro-3-pyridinyl)propanamide
CID 9249896
N-(2-chloro-3-pyridinyl)-2-methoxy-2-phenylacetamide
CID 75846276
(2S)-2-(4-chloro-3-methylphenoxy)-N-(2-chloro-3-pyridinyl)propanamide
CID 841539
N-(2-chloro-3-pyridinyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108520466
(2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide
CID 9459475
3-(2-chloro-3-pyridinyl)-1,1-bis(2-methylpropyl)urea
CID 47435216
(2S)-N-(2-chloro-3-pyridinyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430826
N-(2-chloro-3-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide
CID 44824002
(2S)-N-(2-chloro-3-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 9445495

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloro-3-pyridinyl)propanamide?
The IUPAC name of 2-bromo-N-(2-chloro-3-pyridinyl)propanamide (CID 107903037) is 2-bromo-N-(2-chloro-3-pyridinyl)propanamide.
What is the SMILES notation for 2-bromo-N-(2-chloro-3-pyridinyl)propanamide?
The canonical SMILES for 2-bromo-N-(2-chloro-3-pyridinyl)propanamide is CC(Br)C(=O)Nc1cccnc1Cl.
What is the InChIKey of 2-bromo-N-(2-chloro-3-pyridinyl)propanamide?
The InChIKey is JGKBKMRZJMZNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2O/c1-5(9)8(13)12-6-3-2-4-11-7(6)10/h2-5H,1H3,(H,12,13).
What are the key properties of 2-bromo-N-(2-chloro-3-pyridinyl)propanamide?
2-bromo-N-(2-chloro-3-pyridinyl)propanamide has a molecular weight of 263.52 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloro-3-pyridinyl)propanamide is sourced from PubChem (CID 107903037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).