3,3-dichloro-4-methyl-2H-pyridine

C6H7Cl2N — CID 22145845

IUPAC3,3-dichloro-4-methyl-2H-pyridine
SMILESCC1=CC=NCC1(Cl)Cl
InChIInChI=1S/C6H7Cl2N/c1-5-2-3-9-4-6(5,7)8/h2-3H,4H2,1H3
InChIKeyUEYPRPOQRDGMLF-UHFFFAOYSA-N
MW164.04 g/mol
LogP2.19
Rot. Bonds

About 3,3-dichloro-4-methyl-2H-pyridine

3,3-dichloro-4-methyl-2H-pyridine (PubChem CID 22145845) has the molecular formula C6H7Cl2N and a molecular weight of 164.04 g/mol. Its IUPAC name is 3,3-dichloro-4-methyl-2H-pyridine.

Molecular Properties

Compound Name3,3-dichloro-4-methyl-2H-pyridine
PubChem CID22145845
Molecular FormulaC6H7Cl2N
Molecular Weight164.04 g/mol
Exact Mass163.00
IUPAC Name3,3-dichloro-4-methyl-2H-pyridine
SMILESCC1=CC=NCC1(Cl)Cl
InChIInChI=1S/C6H7Cl2N/c1-5-2-3-9-4-6(5,7)8/h2-3H,4H2,1H3
InChIKeyUEYPRPOQRDGMLF-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.04
LogP ≤ 52.19
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 3,3-dichloro-4-methyl-2H-pyridine?
The IUPAC name of 3,3-dichloro-4-methyl-2H-pyridine (CID 22145845) is 3,3-dichloro-4-methyl-2H-pyridine.
What is the SMILES notation for 3,3-dichloro-4-methyl-2H-pyridine?
The canonical SMILES for 3,3-dichloro-4-methyl-2H-pyridine is CC1=CC=NCC1(Cl)Cl.
What is the InChIKey of 3,3-dichloro-4-methyl-2H-pyridine?
The InChIKey is UEYPRPOQRDGMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N/c1-5-2-3-9-4-6(5,7)8/h2-3H,4H2,1H3.
What are the key properties of 3,3-dichloro-4-methyl-2H-pyridine?
3,3-dichloro-4-methyl-2H-pyridine has a molecular weight of 164.04 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-4-methyl-2H-pyridine is sourced from PubChem (CID 22145845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).