1,6-bis(chloromethyl)-2H-pyridine

C7H9Cl2N — CID 133065143

IUPAC1,6-bis(chloromethyl)-2H-pyridine
SMILESClCC1=CC=CCN1CCl
InChIInChI=1S/C7H9Cl2N/c8-5-7-3-1-2-4-10(7)6-9/h1-3H,4-6H2
InChIKeyCNSQHINHQRXYJF-UHFFFAOYSA-N
MW178.06 g/mol
LogP2.18
Rot. Bonds2

About 1,6-bis(chloromethyl)-2H-pyridine

1,6-bis(chloromethyl)-2H-pyridine (PubChem CID 133065143) has the molecular formula C7H9Cl2N and a molecular weight of 178.06 g/mol. Its IUPAC name is 1,6-bis(chloromethyl)-2H-pyridine.

Molecular Properties

Compound Name1,6-bis(chloromethyl)-2H-pyridine
PubChem CID133065143
Molecular FormulaC7H9Cl2N
Molecular Weight178.06 g/mol
Exact Mass177.01
IUPAC Name1,6-bis(chloromethyl)-2H-pyridine
SMILESClCC1=CC=CCN1CCl
InChIInChI=1S/C7H9Cl2N/c8-5-7-3-1-2-4-10(7)6-9/h1-3H,4-6H2
InChIKeyCNSQHINHQRXYJF-UHFFFAOYSA-N
XLogP2.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.06
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6-bis(chloromethyl)-2H-pyridine?
The IUPAC name of 1,6-bis(chloromethyl)-2H-pyridine (CID 133065143) is 1,6-bis(chloromethyl)-2H-pyridine.
What is the SMILES notation for 1,6-bis(chloromethyl)-2H-pyridine?
The canonical SMILES for 1,6-bis(chloromethyl)-2H-pyridine is ClCC1=CC=CCN1CCl.
What is the InChIKey of 1,6-bis(chloromethyl)-2H-pyridine?
The InChIKey is CNSQHINHQRXYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N/c8-5-7-3-1-2-4-10(7)6-9/h1-3H,4-6H2.
What are the key properties of 1,6-bis(chloromethyl)-2H-pyridine?
1,6-bis(chloromethyl)-2H-pyridine has a molecular weight of 178.06 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(chloromethyl)-2H-pyridine is sourced from PubChem (CID 133065143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).