2-chloro-2-(dichloromethyl)-1H-pyridine

C6H6Cl3N — CID 150896506

IUPAC2-chloro-2-(dichloromethyl)-1H-pyridine
SMILESClC(Cl)C1(Cl)C=CC=CN1
InChIInChI=1S/C6H6Cl3N/c7-5(8)6(9)3-1-2-4-10-6/h1-5,10H
InChIKeyKZCLCZIZCALJEG-UHFFFAOYSA-N
MW198.48 g/mol
LogP2.40
Rot. Bonds1

About 2-chloro-2-(dichloromethyl)-1H-pyridine

2-chloro-2-(dichloromethyl)-1H-pyridine (PubChem CID 150896506) has the molecular formula C6H6Cl3N and a molecular weight of 198.48 g/mol. Its IUPAC name is 2-chloro-2-(dichloromethyl)-1H-pyridine.

Molecular Properties

Compound Name2-chloro-2-(dichloromethyl)-1H-pyridine
PubChem CID150896506
Molecular FormulaC6H6Cl3N
Molecular Weight198.48 g/mol
Exact Mass196.96
IUPAC Name2-chloro-2-(dichloromethyl)-1H-pyridine
SMILESClC(Cl)C1(Cl)C=CC=CN1
InChIInChI=1S/C6H6Cl3N/c7-5(8)6(9)3-1-2-4-10-6/h1-5,10H
InChIKeyKZCLCZIZCALJEG-UHFFFAOYSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.48
LogP ≤ 52.40
H-Bond Donors ≤ 51
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 2-chloro-2-(dichloromethyl)-1H-pyridine?
The IUPAC name of 2-chloro-2-(dichloromethyl)-1H-pyridine (CID 150896506) is 2-chloro-2-(dichloromethyl)-1H-pyridine.
What is the SMILES notation for 2-chloro-2-(dichloromethyl)-1H-pyridine?
The canonical SMILES for 2-chloro-2-(dichloromethyl)-1H-pyridine is ClC(Cl)C1(Cl)C=CC=CN1.
What is the InChIKey of 2-chloro-2-(dichloromethyl)-1H-pyridine?
The InChIKey is KZCLCZIZCALJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl3N/c7-5(8)6(9)3-1-2-4-10-6/h1-5,10H.
What are the key properties of 2-chloro-2-(dichloromethyl)-1H-pyridine?
2-chloro-2-(dichloromethyl)-1H-pyridine has a molecular weight of 198.48 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(dichloromethyl)-1H-pyridine is sourced from PubChem (CID 150896506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).