2-[2-(chloromethyl)cyclopropyl]pyridine

C9H10ClN — CID 81357675

IUPAC2-[2-(chloromethyl)cyclopropyl]pyridine
SMILESClCC1CC1c1ccccn1
InChIInChI=1S/C9H10ClN/c10-6-7-5-8(7)9-3-1-2-4-11-9/h1-4,7-8H,5-6H2
InChIKeyADSRVOVXUVMKJK-UHFFFAOYSA-N
MW167.64 g/mol
LogP2.42
Rot. Bonds2

About 2-[2-(chloromethyl)cyclopropyl]pyridine

2-[2-(chloromethyl)cyclopropyl]pyridine (PubChem CID 81357675) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 2-[2-(chloromethyl)cyclopropyl]pyridine.

Molecular Properties

Compound Name2-[2-(chloromethyl)cyclopropyl]pyridine
PubChem CID81357675
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name2-[2-(chloromethyl)cyclopropyl]pyridine
SMILESClCC1CC1c1ccccn1
InChIInChI=1S/C9H10ClN/c10-6-7-5-8(7)9-3-1-2-4-11-9/h1-4,7-8H,5-6H2
InChIKeyADSRVOVXUVMKJK-UHFFFAOYSA-N
XLogP2.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 52.42
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-(chloromethyl)cyclopropyl]pyridine?
The IUPAC name of 2-[2-(chloromethyl)cyclopropyl]pyridine (CID 81357675) is 2-[2-(chloromethyl)cyclopropyl]pyridine.
What is the SMILES notation for 2-[2-(chloromethyl)cyclopropyl]pyridine?
The canonical SMILES for 2-[2-(chloromethyl)cyclopropyl]pyridine is ClCC1CC1c1ccccn1.
What is the InChIKey of 2-[2-(chloromethyl)cyclopropyl]pyridine?
The InChIKey is ADSRVOVXUVMKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c10-6-7-5-8(7)9-3-1-2-4-11-9/h1-4,7-8H,5-6H2.
What are the key properties of 2-[2-(chloromethyl)cyclopropyl]pyridine?
2-[2-(chloromethyl)cyclopropyl]pyridine has a molecular weight of 167.64 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)cyclopropyl]pyridine is sourced from PubChem (CID 81357675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).