2-(2-chloro-2-cyclopropylethyl)-4-methylpyridine

C11H14ClN — CID 63352927

IUPAC2-(2-chloro-2-cyclopropylethyl)-4-methylpyridine
SMILESCc1ccnc(CC(Cl)C2CC2)c1
InChIInChI=1S/C11H14ClN/c1-8-4-5-13-10(6-8)7-11(12)9-2-3-9/h4-6,9,11H,2-3,7H2,1H3
InChIKeyLYAPGGKVPNWHCY-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.95
Rot. Bonds3

About 2-(2-chloro-2-cyclopropylethyl)-4-methylpyridine

2-(2-chloro-2-cyclopropylethyl)-4-methylpyridine (PubChem CID 63352927) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 2-(2-chloro-2-cyclopropylethyl)-4-methylpyridine.

Molecular Properties

Compound Name2-(2-chloro-2-cyclopropylethyl)-4-methylpyridine
PubChem CID63352927
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name2-(2-chloro-2-cyclopropylethyl)-4-methylpyridine
SMILESCc1ccnc(CC(Cl)C2CC2)c1
InChIInChI=1S/C11H14ClN/c1-8-4-5-13-10(6-8)7-11(12)9-2-3-9/h4-6,9,11H,2-3,7H2,1H3
InChIKeyLYAPGGKVPNWHCY-UHFFFAOYSA-N
XLogP2.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(+-)-Chlorpheniramine
CID 2725
Dexchlorpheniramine
CID 33036
Pheniramine
CID 4761
Prothionamide
CID 666418
Myosmine
CID 442649
5-Ethyl-2-methylpyridine
CID 7728
Anabaseine
CID 18985
2,4-Dimethylpyridine
CID 7936
2-Propylpyridine
CID 69320
Picolyl chloride hydrochloride
CID 23392
3-Butylpyridine
CID 10874
3-Pentylpyridine
CID 238307

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-2-cyclopropylethyl)-4-methylpyridine?
The IUPAC name of 2-(2-chloro-2-cyclopropylethyl)-4-methylpyridine (CID 63352927) is 2-(2-chloro-2-cyclopropylethyl)-4-methylpyridine.
What is the SMILES notation for 2-(2-chloro-2-cyclopropylethyl)-4-methylpyridine?
The canonical SMILES for 2-(2-chloro-2-cyclopropylethyl)-4-methylpyridine is Cc1ccnc(CC(Cl)C2CC2)c1.
What is the InChIKey of 2-(2-chloro-2-cyclopropylethyl)-4-methylpyridine?
The InChIKey is LYAPGGKVPNWHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-8-4-5-13-10(6-8)7-11(12)9-2-3-9/h4-6,9,11H,2-3,7H2,1H3.
What are the key properties of 2-(2-chloro-2-cyclopropylethyl)-4-methylpyridine?
2-(2-chloro-2-cyclopropylethyl)-4-methylpyridine has a molecular weight of 195.69 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-2-cyclopropylethyl)-4-methylpyridine is sourced from PubChem (CID 63352927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).