2-(1-chloro-2,2-dimethylpropyl)pyridine

C10H14ClN — CID 146396915

IUPAC2-(1-chloro-2,2-dimethylpropyl)pyridine
SMILESCC(C)(C)C(Cl)c1ccccn1
InChIInChI=1S/C10H14ClN/c1-10(2,3)9(11)8-6-4-5-7-12-8/h4-7,9H,1-3H3
InChIKeyOJORYMFBARIJCX-UHFFFAOYSA-N
MW183.68 g/mol
LogP3.41
Rot. Bonds1

About 2-(1-chloro-2,2-dimethylpropyl)pyridine

2-(1-chloro-2,2-dimethylpropyl)pyridine (PubChem CID 146396915) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 2-(1-chloro-2,2-dimethylpropyl)pyridine.

Molecular Properties

Compound Name2-(1-chloro-2,2-dimethylpropyl)pyridine
PubChem CID146396915
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name2-(1-chloro-2,2-dimethylpropyl)pyridine
SMILESCC(C)(C)C(Cl)c1ccccn1
InChIInChI=1S/C10H14ClN/c1-10(2,3)9(11)8-6-4-5-7-12-8/h4-7,9H,1-3H3
InChIKeyOJORYMFBARIJCX-UHFFFAOYSA-N
XLogP3.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(1-chloro-2,2-dimethylpropyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dichloromethyl)pyridine;hydrochloride
CID 18385076
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
chloro(pyridin-2-yl)methanamine
CID 22075524
(1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine
CID 99737676
2-(3,3,4,4-tetramethylpentan-2-yl)pyridine
CID 146411228
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
3-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82408899
(1S)-2-methyl-1-pyridin-2-ylpropan-1-ol
CID 51670363
2,2,2-trichloro-1-pyridin-2-ylethanol
CID 3066911
2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine
CID 166470570
5,5-dimethyl-2-pyridin-2-ylhexan-3-amine
CID 66448754
ethane;2-methylpropane;2-propan-2-ylpyridine
CID 160963174

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2,2-dimethylpropyl)pyridine?
The IUPAC name of 2-(1-chloro-2,2-dimethylpropyl)pyridine (CID 146396915) is 2-(1-chloro-2,2-dimethylpropyl)pyridine.
What is the SMILES notation for 2-(1-chloro-2,2-dimethylpropyl)pyridine?
The canonical SMILES for 2-(1-chloro-2,2-dimethylpropyl)pyridine is CC(C)(C)C(Cl)c1ccccn1.
What is the InChIKey of 2-(1-chloro-2,2-dimethylpropyl)pyridine?
The InChIKey is OJORYMFBARIJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-10(2,3)9(11)8-6-4-5-7-12-8/h4-7,9H,1-3H3.
What are the key properties of 2-(1-chloro-2,2-dimethylpropyl)pyridine?
2-(1-chloro-2,2-dimethylpropyl)pyridine has a molecular weight of 183.68 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2,2-dimethylpropyl)pyridine is sourced from PubChem (CID 146396915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).