2-[2-(chloromethyl)cyclopropyl]pyridine;hydrochloride

C9H11Cl2N — CID 174705473

IUPAC2-[2-(chloromethyl)cyclopropyl]pyridine;hydrochloride
SMILESCl.ClCC1CC1c1ccccn1
InChIInChI=1S/C9H10ClN.ClH/c10-6-7-5-8(7)9-3-1-2-4-11-9;/h1-4,7-8H,5-6H2;1H
InChIKeyAUBZSGAHKQNHDR-UHFFFAOYSA-N
MW204.10 g/mol
LogP2.85
Rot. Bonds2

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

2-[2-(chloromethyl)cyclopropyl]pyridine;hydrochloride (PubChem CID 174705473) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is 2-[2-(chloromethyl)cyclopropyl]pyridine;hydrochloride.

Molecular Properties

Compound Name2-[2-(chloromethyl)cyclopropyl]pyridine;hydrochloride
PubChem CID174705473
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name2-[2-(chloromethyl)cyclopropyl]pyridine;hydrochloride
SMILESCl.ClCC1CC1c1ccccn1
InChIInChI=1S/C9H10ClN.ClH/c10-6-7-5-8(7)9-3-1-2-4-11-9;/h1-4,7-8H,5-6H2;1H
InChIKeyAUBZSGAHKQNHDR-UHFFFAOYSA-N
XLogP2.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 52.85
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;hydrochloride?
The IUPAC name of 2-[2-(chloromethyl)cyclopropyl]pyridine;hydrochloride (CID 174705473) is 2-[2-(chloromethyl)cyclopropyl]pyridine;hydrochloride.
What is the SMILES notation for 2-[2-(chloromethyl)cyclopropyl]pyridine;hydrochloride?
The canonical SMILES for 2-[2-(chloromethyl)cyclopropyl]pyridine;hydrochloride is Cl.ClCC1CC1c1ccccn1.
What is the InChIKey of 2-[2-(chloromethyl)cyclopropyl]pyridine;hydrochloride?
The InChIKey is AUBZSGAHKQNHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN.ClH/c10-6-7-5-8(7)9-3-1-2-4-11-9;/h1-4,7-8H,5-6H2;1H.
What are the key properties of 2-[2-(chloromethyl)cyclopropyl]pyridine;hydrochloride?
2-[2-(chloromethyl)cyclopropyl]pyridine;hydrochloride has a molecular weight of 204.10 g/mol, XLogP of 2.85, 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;hydrochloride is sourced from PubChem (CID 174705473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).