2,3-bis(chloromethyl)pyridine

C7H7Cl2N — CID 14518750

IUPAC2,3-bis(chloromethyl)pyridine
SMILESClCc1cccnc1CCl
InChIInChI=1S/C7H7Cl2N/c8-4-6-2-1-3-10-7(6)5-9/h1-3H,4-5H2
InChIKeyFDHDTLFJPYRSBM-UHFFFAOYSA-N
MW176.05 g/mol
LogP2.56
Rot. Bonds2

About 2,3-bis(chloromethyl)pyridine

2,3-bis(chloromethyl)pyridine (PubChem CID 14518750) has the molecular formula C7H7Cl2N and a molecular weight of 176.05 g/mol. Its IUPAC name is 2,3-bis(chloromethyl)pyridine.

Molecular Properties

Compound Name2,3-bis(chloromethyl)pyridine
PubChem CID14518750
Molecular FormulaC7H7Cl2N
Molecular Weight176.05 g/mol
Exact Mass175.00
IUPAC Name2,3-bis(chloromethyl)pyridine
SMILESClCc1cccnc1CCl
InChIInChI=1S/C7H7Cl2N/c8-4-6-2-1-3-10-7(6)5-9/h1-3H,4-5H2
InChIKeyFDHDTLFJPYRSBM-UHFFFAOYSA-N
XLogP2.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.05
LogP ≤ 52.56
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 2,3-bis(chloromethyl)pyridine?
The IUPAC name of 2,3-bis(chloromethyl)pyridine (CID 14518750) is 2,3-bis(chloromethyl)pyridine.
What is the SMILES notation for 2,3-bis(chloromethyl)pyridine?
The canonical SMILES for 2,3-bis(chloromethyl)pyridine is ClCc1cccnc1CCl.
What is the InChIKey of 2,3-bis(chloromethyl)pyridine?
The InChIKey is FDHDTLFJPYRSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N/c8-4-6-2-1-3-10-7(6)5-9/h1-3H,4-5H2.
What are the key properties of 2,3-bis(chloromethyl)pyridine?
2,3-bis(chloromethyl)pyridine has a molecular weight of 176.05 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(chloromethyl)pyridine is sourced from PubChem (CID 14518750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).