2-(chloromethyl)-6-cyclopropylpyridine;hydrochloride

C9H11Cl2N — CID 67974654

IUPAC2-(chloromethyl)-6-cyclopropylpyridine;hydrochloride
SMILESCl.ClCc1cccc(C2CC2)n1
InChIInChI=1S/C9H10ClN.ClH/c10-6-8-2-1-3-9(11-8)7-4-5-7;/h1-3,7H,4-6H2;1H
InChIKeyHGVYVXAGWXPUQQ-UHFFFAOYSA-N
MW204.10 g/mol
LogP3.12
Rot. Bonds2

About 2-(chloromethyl)-6-cyclopropylpyridine;hydrochloride

2-(chloromethyl)-6-cyclopropylpyridine;hydrochloride (PubChem CID 67974654) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is 2-(chloromethyl)-6-cyclopropylpyridine;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-6-cyclopropylpyridine;hydrochloride
PubChem CID67974654
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name2-(chloromethyl)-6-cyclopropylpyridine;hydrochloride
SMILESCl.ClCc1cccc(C2CC2)n1
InChIInChI=1S/C9H10ClN.ClH/c10-6-8-2-1-3-9(11-8)7-4-5-7;/h1-3,7H,4-6H2;1H
InChIKeyHGVYVXAGWXPUQQ-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
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-(chloromethyl)-6-cyclopropylpyridine;hydrochloride?
The IUPAC name of 2-(chloromethyl)-6-cyclopropylpyridine;hydrochloride (CID 67974654) is 2-(chloromethyl)-6-cyclopropylpyridine;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)-6-cyclopropylpyridine;hydrochloride?
The canonical SMILES for 2-(chloromethyl)-6-cyclopropylpyridine;hydrochloride is Cl.ClCc1cccc(C2CC2)n1.
What is the InChIKey of 2-(chloromethyl)-6-cyclopropylpyridine;hydrochloride?
The InChIKey is HGVYVXAGWXPUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN.ClH/c10-6-8-2-1-3-9(11-8)7-4-5-7;/h1-3,7H,4-6H2;1H.
What are the key properties of 2-(chloromethyl)-6-cyclopropylpyridine;hydrochloride?
2-(chloromethyl)-6-cyclopropylpyridine;hydrochloride has a molecular weight of 204.10 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-cyclopropylpyridine;hydrochloride is sourced from PubChem (CID 67974654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).