2-(2-chloro-3,3-dimethylbutyl)pyridine

C11H16ClN — CID 63203181

IUPAC2-(2-chloro-3,3-dimethylbutyl)pyridine
SMILESCC(C)(C)C(Cl)Cc1ccccn1
InChIInChI=1S/C11H16ClN/c1-11(2,3)10(12)8-9-6-4-5-7-13-9/h4-7,10H,8H2,1-3H3
InChIKeyNQQOYYJNRSOLEN-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.28
Rot. Bonds2

About 2-(2-chloro-3,3-dimethylbutyl)pyridine

2-(2-chloro-3,3-dimethylbutyl)pyridine (PubChem CID 63203181) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 2-(2-chloro-3,3-dimethylbutyl)pyridine.

Molecular Properties

Compound Name2-(2-chloro-3,3-dimethylbutyl)pyridine
PubChem CID63203181
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name2-(2-chloro-3,3-dimethylbutyl)pyridine
SMILESCC(C)(C)C(Cl)Cc1ccccn1
InChIInChI=1S/C11H16ClN/c1-11(2,3)10(12)8-9-6-4-5-7-13-9/h4-7,10H,8H2,1-3H3
InChIKeyNQQOYYJNRSOLEN-UHFFFAOYSA-N
XLogP3.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-3,3,3-trifluoropropyl)pyridine
CID 66461379
3,3-dimethyl-1-pyridin-2-ylbutan-2-ol
CID 62393585
2-(2-methoxy-3,3-dimethylbutyl)pyridine
CID 86130938
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
(3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol
CID 135132625
2-(2-chloro-4-methoxybutyl)pyridine
CID 66461980
4-methyl-1-pyridin-2-ylpentane-2,3-diol
CID 103456469
2-[2-bromo-2-(4-tert-butylphenyl)ethyl]pyridine
CID 66455038
2-(2-chlorononyl)pyridine
CID 66459167
(2R)-2-amino-N,N-dimethyl-3-pyridin-2-ylpropanamide
CID 73439082
(2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one
CID 58458155
2-(1-chloro-2,2-dimethylpropyl)pyridine
CID 146396915

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3,3-dimethylbutyl)pyridine?
The IUPAC name of 2-(2-chloro-3,3-dimethylbutyl)pyridine (CID 63203181) is 2-(2-chloro-3,3-dimethylbutyl)pyridine.
What is the SMILES notation for 2-(2-chloro-3,3-dimethylbutyl)pyridine?
The canonical SMILES for 2-(2-chloro-3,3-dimethylbutyl)pyridine is CC(C)(C)C(Cl)Cc1ccccn1.
What is the InChIKey of 2-(2-chloro-3,3-dimethylbutyl)pyridine?
The InChIKey is NQQOYYJNRSOLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-11(2,3)10(12)8-9-6-4-5-7-13-9/h4-7,10H,8H2,1-3H3.
What are the key properties of 2-(2-chloro-3,3-dimethylbutyl)pyridine?
2-(2-chloro-3,3-dimethylbutyl)pyridine has a molecular weight of 197.71 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3,3-dimethylbutyl)pyridine is sourced from PubChem (CID 63203181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).