2-chloro-5-pentan-3-ylpyridine

C10H14ClN — CID 134459618

IUPAC2-chloro-5-pentan-3-ylpyridine
SMILESCCC(CC)c1ccc(Cl)nc1
InChIInChI=1S/C10H14ClN/c1-3-8(4-2)9-5-6-10(11)12-7-9/h5-8H,3-4H2,1-2H3
InChIKeyHMKUJGXZCJCZLU-UHFFFAOYSA-N
MW183.68 g/mol
LogP3.64
Rot. Bonds3

About 2-chloro-5-pentan-3-ylpyridine

2-chloro-5-pentan-3-ylpyridine (PubChem CID 134459618) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 2-chloro-5-pentan-3-ylpyridine.

Molecular Properties

Compound Name2-chloro-5-pentan-3-ylpyridine
PubChem CID134459618
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name2-chloro-5-pentan-3-ylpyridine
SMILESCCC(CC)c1ccc(Cl)nc1
InChIInChI=1S/C10H14ClN/c1-3-8(4-2)9-5-6-10(11)12-7-9/h5-8H,3-4H2,1-2H3
InChIKeyHMKUJGXZCJCZLU-UHFFFAOYSA-N
XLogP3.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(6-chloro-3-pyridinyl)propan-1-amine
CID 55278839
2-methoxy-5-pentan-3-ylpyridine
CID 123545685
(2R)-2-(6-chloro-3-pyridinyl)octan-1-ol
CID 124567268
2-(6-chloro-3-pyridinyl)octan-1-ol
CID 59729434
(1S)-1-(6-chloro-3-pyridinyl)butan-1-amine
CID 131097718
ethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate
CID 124564561
2,3-dichloro-5-pentan-3-ylpyridine
CID 130457362
2-(6-chloro-3-pyridinyl)pentanal
CID 170986632
2-chloro-5-[(2S)-2-methylbutyl]pyridine
CID 56840075
(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine
CID 130606280
1-(6-chloro-3-pyridinyl)-2,2-dimethylpropan-1-amine
CID 130041973
1-(6-chloro-3-pyridinyl)-2-methoxyethanamine
CID 55272792

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-pentan-3-ylpyridine?
The IUPAC name of 2-chloro-5-pentan-3-ylpyridine (CID 134459618) is 2-chloro-5-pentan-3-ylpyridine.
What is the SMILES notation for 2-chloro-5-pentan-3-ylpyridine?
The canonical SMILES for 2-chloro-5-pentan-3-ylpyridine is CCC(CC)c1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-pentan-3-ylpyridine?
The InChIKey is HMKUJGXZCJCZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-3-8(4-2)9-5-6-10(11)12-7-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-chloro-5-pentan-3-ylpyridine?
2-chloro-5-pentan-3-ylpyridine has a molecular weight of 183.68 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-pentan-3-ylpyridine is sourced from PubChem (CID 134459618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).