2-chloro-2,6-dimethyl-1H-pyridine

C7H10ClN — CID 66825846

IUPAC2-chloro-2,6-dimethyl-1H-pyridine
SMILESCC1=CC=CC(C)(Cl)N1
InChIInChI=1S/C7H10ClN/c1-6-4-3-5-7(2,8)9-6/h3-5,9H,1-2H3
InChIKeyXJCOUTOBBIKGFF-UHFFFAOYSA-N
MW143.62 g/mol
LogP2.00
Rot. Bonds

About 2-chloro-2,6-dimethyl-1H-pyridine

2-chloro-2,6-dimethyl-1H-pyridine (PubChem CID 66825846) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is 2-chloro-2,6-dimethyl-1H-pyridine.

Molecular Properties

Compound Name2-chloro-2,6-dimethyl-1H-pyridine
PubChem CID66825846
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name2-chloro-2,6-dimethyl-1H-pyridine
SMILESCC1=CC=CC(C)(Cl)N1
InChIInChI=1S/C7H10ClN/c1-6-4-3-5-7(2,8)9-6/h3-5,9H,1-2H3
InChIKeyXJCOUTOBBIKGFF-UHFFFAOYSA-N
XLogP2.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.00
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-2,6-dimethyl-1H-pyridine?
The IUPAC name of 2-chloro-2,6-dimethyl-1H-pyridine (CID 66825846) is 2-chloro-2,6-dimethyl-1H-pyridine.
What is the SMILES notation for 2-chloro-2,6-dimethyl-1H-pyridine?
The canonical SMILES for 2-chloro-2,6-dimethyl-1H-pyridine is CC1=CC=CC(C)(Cl)N1.
What is the InChIKey of 2-chloro-2,6-dimethyl-1H-pyridine?
The InChIKey is XJCOUTOBBIKGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN/c1-6-4-3-5-7(2,8)9-6/h3-5,9H,1-2H3.
What are the key properties of 2-chloro-2,6-dimethyl-1H-pyridine?
2-chloro-2,6-dimethyl-1H-pyridine has a molecular weight of 143.62 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,6-dimethyl-1H-pyridine is sourced from PubChem (CID 66825846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).