2-[chloro(cyclopropyl)methyl]-4-methylpyridine

C10H12ClN — CID 18799565

IUPAC2-[chloro(cyclopropyl)methyl]-4-methylpyridine
SMILESCc1ccnc(C(Cl)C2CC2)c1
InChIInChI=1S/C10H12ClN/c1-7-4-5-12-9(6-7)10(11)8-2-3-8/h4-6,8,10H,2-3H2,1H3
InChIKeyKAQJFCYQAIWDLQ-UHFFFAOYSA-N
MW181.67 g/mol
LogP3.08
Rot. Bonds2

About 2-[chloro(cyclopropyl)methyl]-4-methylpyridine

2-[chloro(cyclopropyl)methyl]-4-methylpyridine (PubChem CID 18799565) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 2-[chloro(cyclopropyl)methyl]-4-methylpyridine.

Molecular Properties

Compound Name2-[chloro(cyclopropyl)methyl]-4-methylpyridine
PubChem CID18799565
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name2-[chloro(cyclopropyl)methyl]-4-methylpyridine
SMILESCc1ccnc(C(Cl)C2CC2)c1
InChIInChI=1S/C10H12ClN/c1-7-4-5-12-9(6-7)10(11)8-2-3-8/h4-6,8,10H,2-3H2,1H3
InChIKeyKAQJFCYQAIWDLQ-UHFFFAOYSA-N
XLogP3.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 53.08
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-[chloro(cyclopropyl)methyl]-4-methylpyridine?
The IUPAC name of 2-[chloro(cyclopropyl)methyl]-4-methylpyridine (CID 18799565) is 2-[chloro(cyclopropyl)methyl]-4-methylpyridine.
What is the SMILES notation for 2-[chloro(cyclopropyl)methyl]-4-methylpyridine?
The canonical SMILES for 2-[chloro(cyclopropyl)methyl]-4-methylpyridine is Cc1ccnc(C(Cl)C2CC2)c1.
What is the InChIKey of 2-[chloro(cyclopropyl)methyl]-4-methylpyridine?
The InChIKey is KAQJFCYQAIWDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c1-7-4-5-12-9(6-7)10(11)8-2-3-8/h4-6,8,10H,2-3H2,1H3.
What are the key properties of 2-[chloro(cyclopropyl)methyl]-4-methylpyridine?
2-[chloro(cyclopropyl)methyl]-4-methylpyridine has a molecular weight of 181.67 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(cyclopropyl)methyl]-4-methylpyridine is sourced from PubChem (CID 18799565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).