1-(2-chloro-4-pyridinyl)-2-ethylbutan-1-one

C11H14ClNO — CID 24723737

IUPAC1-(2-chloro-4-pyridinyl)-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-3-8(4-2)11(14)9-5-6-13-10(12)7-9/h5-8H,3-4H2,1-2H3
InChIKeyLHHSYDZAPQZLKU-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.35
Rot. Bonds4

About 1-(2-chloro-4-pyridinyl)-2-ethylbutan-1-one

1-(2-chloro-4-pyridinyl)-2-ethylbutan-1-one (PubChem CID 24723737) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-2-ethylbutan-1-one
PubChem CID24723737
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name1-(2-chloro-4-pyridinyl)-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-3-8(4-2)11(14)9-5-6-13-10(12)7-9/h5-8H,3-4H2,1-2H3
InChIKeyLHHSYDZAPQZLKU-UHFFFAOYSA-N
XLogP3.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-chloro-4-pyridinyl)-2-ethylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-4-pyridinyl)-2,2-diethoxyethanone
CID 162417624
1-(2-chloro-4-pyridinyl)-3-ethylhexan-1-one
CID 131863187
2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid
CID 45122335
2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide
CID 51891752
propyl 2-chloropyridine-4-carboxylate
CID 24723709
2-chloro-4-[(E)-pent-2-en-3-yl]pyridine
CID 90154949
1-(2-chloro-4-pyridinyl)-2,2-dimethylpropan-1-one
CID 24723731
2-chloro-4-pent-2-en-3-ylpyridine
CID 123768437
1-(2-chloro-4-pyridinyl)-2-(methylamino)ethanone
CID 82655374
2-chloro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide
CID 43430188
butanamide;2-chloropyridine-4-carboxamide
CID 174570819
1-O-ethyl 5-O-methyl 2-(2-chloropyridine-4-carbonyl)pentanedioate
CID 58496116

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)-2-ethylbutan-1-one?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-2-ethylbutan-1-one (CID 24723737) is 1-(2-chloro-4-pyridinyl)-2-ethylbutan-1-one.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-2-ethylbutan-1-one?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-2-ethylbutan-1-one is CCC(CC)C(=O)c1ccnc(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-2-ethylbutan-1-one?
The InChIKey is LHHSYDZAPQZLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-3-8(4-2)11(14)9-5-6-13-10(12)7-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-(2-chloro-4-pyridinyl)-2-ethylbutan-1-one?
1-(2-chloro-4-pyridinyl)-2-ethylbutan-1-one has a molecular weight of 211.69 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)-2-ethylbutan-1-one is sourced from PubChem (CID 24723737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).