2-(2-chloropentyl)-4-methylpyridine

C11H16ClN — CID 18799713

IUPAC2-(2-chloropentyl)-4-methylpyridine
SMILESCCCC(Cl)Cc1cc(C)ccn1
InChIInChI=1S/C11H16ClN/c1-3-4-10(12)8-11-7-9(2)5-6-13-11/h5-7,10H,3-4,8H2,1-2H3
InChIKeyFDMYNQKFXCVWKD-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.34
Rot. Bonds4

About 2-(2-chloropentyl)-4-methylpyridine

2-(2-chloropentyl)-4-methylpyridine (PubChem CID 18799713) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 2-(2-chloropentyl)-4-methylpyridine.

Molecular Properties

Compound Name2-(2-chloropentyl)-4-methylpyridine
PubChem CID18799713
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name2-(2-chloropentyl)-4-methylpyridine
SMILESCCCC(Cl)Cc1cc(C)ccn1
InChIInChI=1S/C11H16ClN/c1-3-4-10(12)8-11-7-9(2)5-6-13-11/h5-7,10H,3-4,8H2,1-2H3
InChIKeyFDMYNQKFXCVWKD-UHFFFAOYSA-N
XLogP3.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropentyl)-4-methylpyridine?
The IUPAC name of 2-(2-chloropentyl)-4-methylpyridine (CID 18799713) is 2-(2-chloropentyl)-4-methylpyridine.
What is the SMILES notation for 2-(2-chloropentyl)-4-methylpyridine?
The canonical SMILES for 2-(2-chloropentyl)-4-methylpyridine is CCCC(Cl)Cc1cc(C)ccn1.
What is the InChIKey of 2-(2-chloropentyl)-4-methylpyridine?
The InChIKey is FDMYNQKFXCVWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-3-4-10(12)8-11-7-9(2)5-6-13-11/h5-7,10H,3-4,8H2,1-2H3.
What are the key properties of 2-(2-chloropentyl)-4-methylpyridine?
2-(2-chloropentyl)-4-methylpyridine has a molecular weight of 197.71 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropentyl)-4-methylpyridine is sourced from PubChem (CID 18799713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).