4-(2-chloro-3-cyclopropylbutyl)pyridine

C12H16ClN — CID 83152471

IUPAC4-(2-chloro-3-cyclopropylbutyl)pyridine
SMILESCC(C(Cl)Cc1ccncc1)C1CC1
InChIInChI=1S/C12H16ClN/c1-9(11-2-3-11)12(13)8-10-4-6-14-7-5-10/h4-7,9,11-12H,2-3,8H2,1H3
InChIKeyJWIHQMYLKLYLSY-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.28
Rot. Bonds4

About 4-(2-chloro-3-cyclopropylbutyl)pyridine

4-(2-chloro-3-cyclopropylbutyl)pyridine (PubChem CID 83152471) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 4-(2-chloro-3-cyclopropylbutyl)pyridine.

Molecular Properties

Compound Name4-(2-chloro-3-cyclopropylbutyl)pyridine
PubChem CID83152471
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name4-(2-chloro-3-cyclopropylbutyl)pyridine
SMILESCC(C(Cl)Cc1ccncc1)C1CC1
InChIInChI=1S/C12H16ClN/c1-9(11-2-3-11)12(13)8-10-4-6-14-7-5-10/h4-7,9,11-12H,2-3,8H2,1H3
InChIKeyJWIHQMYLKLYLSY-UHFFFAOYSA-N
XLogP3.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.28
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 4-(2-chloro-3-cyclopropylbutyl)pyridine?
The IUPAC name of 4-(2-chloro-3-cyclopropylbutyl)pyridine (CID 83152471) is 4-(2-chloro-3-cyclopropylbutyl)pyridine.
What is the SMILES notation for 4-(2-chloro-3-cyclopropylbutyl)pyridine?
The canonical SMILES for 4-(2-chloro-3-cyclopropylbutyl)pyridine is CC(C(Cl)Cc1ccncc1)C1CC1.
What is the InChIKey of 4-(2-chloro-3-cyclopropylbutyl)pyridine?
The InChIKey is JWIHQMYLKLYLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-9(11-2-3-11)12(13)8-10-4-6-14-7-5-10/h4-7,9,11-12H,2-3,8H2,1H3.
What are the key properties of 4-(2-chloro-3-cyclopropylbutyl)pyridine?
4-(2-chloro-3-cyclopropylbutyl)pyridine has a molecular weight of 209.72 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-cyclopropylbutyl)pyridine is sourced from PubChem (CID 83152471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).