6-chloro-1-(chloromethyl)-2H-pyridine

C6H7Cl2N — CID 19361563

IUPAC6-chloro-1-(chloromethyl)-2H-pyridine
SMILESClCN1CC=CC=C1Cl
InChIInChI=1S/C6H7Cl2N/c7-5-9-4-2-1-3-6(9)8/h1-3H,4-5H2
InChIKeyNZAHRJRTWMDXSV-UHFFFAOYSA-N
MW164.03 g/mol
LogP2.13
Rot. Bonds1

About 6-chloro-1-(chloromethyl)-2H-pyridine

6-chloro-1-(chloromethyl)-2H-pyridine (PubChem CID 19361563) has the molecular formula C6H7Cl2N and a molecular weight of 164.03 g/mol. Its IUPAC name is 6-chloro-1-(chloromethyl)-2H-pyridine.

Molecular Properties

Compound Name6-chloro-1-(chloromethyl)-2H-pyridine
PubChem CID19361563
Molecular FormulaC6H7Cl2N
Molecular Weight164.03 g/mol
Exact Mass163.00
IUPAC Name6-chloro-1-(chloromethyl)-2H-pyridine
SMILESClCN1CC=CC=C1Cl
InChIInChI=1S/C6H7Cl2N/c7-5-9-4-2-1-3-6(9)8/h1-3H,4-5H2
InChIKeyNZAHRJRTWMDXSV-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.03
LogP ≤ 52.13
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 6-chloro-1-(chloromethyl)-2H-pyridine?
The IUPAC name of 6-chloro-1-(chloromethyl)-2H-pyridine (CID 19361563) is 6-chloro-1-(chloromethyl)-2H-pyridine.
What is the SMILES notation for 6-chloro-1-(chloromethyl)-2H-pyridine?
The canonical SMILES for 6-chloro-1-(chloromethyl)-2H-pyridine is ClCN1CC=CC=C1Cl.
What is the InChIKey of 6-chloro-1-(chloromethyl)-2H-pyridine?
The InChIKey is NZAHRJRTWMDXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N/c7-5-9-4-2-1-3-6(9)8/h1-3H,4-5H2.
What are the key properties of 6-chloro-1-(chloromethyl)-2H-pyridine?
6-chloro-1-(chloromethyl)-2H-pyridine has a molecular weight of 164.03 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(chloromethyl)-2H-pyridine is sourced from PubChem (CID 19361563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).