2-chloro-2-methyl-1H-pyridine

C6H8ClN — CID 19964169

IUPAC2-chloro-2-methyl-1H-pyridine
SMILESCC1(Cl)C=CC=CN1
InChIInChI=1S/C6H8ClN/c1-6(7)4-2-3-5-8-6/h2-5,8H,1H3
InChIKeyUWONNLWKQIUWRA-UHFFFAOYSA-N
MW129.59 g/mol
LogP1.61
Rot. Bonds

About 2-chloro-2-methyl-1H-pyridine

2-chloro-2-methyl-1H-pyridine (PubChem CID 19964169) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is 2-chloro-2-methyl-1H-pyridine.

Molecular Properties

Compound Name2-chloro-2-methyl-1H-pyridine
PubChem CID19964169
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC Name2-chloro-2-methyl-1H-pyridine
SMILESCC1(Cl)C=CC=CN1
InChIInChI=1S/C6H8ClN/c1-6(7)4-2-3-5-8-6/h2-5,8H,1H3
InChIKeyUWONNLWKQIUWRA-UHFFFAOYSA-N
XLogP1.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.59
LogP ≤ 51.61
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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Related Compounds

2-Fluoropicoline
CID 69611625
Dihydropicoline
CID 5246423
2-Methyl picoline
CID 18347293
2-Methyl-2-vinylpyridine
CID 20131521
2-Aminopicoline
CID 66824522
2-Bromopicoline
CID 68644332
2,4-Dichloropicoline
CID 129796948
2-chloro-2-(trifluoromethyl)-1H-pyridine
CID 69641406
5-Chloro-3-fluoro-2-methyl-1,2-dihydropyridine
CID 135234791
(2Z,4E)-3-chloro-N-ethenyl-4-fluorohepta-2,4-dien-2-amine
CID 137432143
2-chloro-5-fluoro-2-methyl-1H-pyridine
CID 140555369
3-Fluoro-2-methyl-1,2-dihydropyridine
CID 145491768

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-methyl-1H-pyridine?
The IUPAC name of 2-chloro-2-methyl-1H-pyridine (CID 19964169) is 2-chloro-2-methyl-1H-pyridine.
What is the SMILES notation for 2-chloro-2-methyl-1H-pyridine?
The canonical SMILES for 2-chloro-2-methyl-1H-pyridine is CC1(Cl)C=CC=CN1.
What is the InChIKey of 2-chloro-2-methyl-1H-pyridine?
The InChIKey is UWONNLWKQIUWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN/c1-6(7)4-2-3-5-8-6/h2-5,8H,1H3.
What are the key properties of 2-chloro-2-methyl-1H-pyridine?
2-chloro-2-methyl-1H-pyridine has a molecular weight of 129.59 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-methyl-1H-pyridine is sourced from PubChem (CID 19964169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).