5-(4-chloro-2-methylpentan-2-yl)-2-methylpyridine

C12H18ClN — CID 64717476

IUPAC5-(4-chloro-2-methylpentan-2-yl)-2-methylpyridine
SMILESCc1ccc(C(C)(C)CC(C)Cl)cn1
InChIInChI=1S/C12H18ClN/c1-9(13)7-12(3,4)11-6-5-10(2)14-8-11/h5-6,8-9H,7H2,1-4H3
InChIKeyZMZQWMKUGZHADG-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.69
Rot. Bonds3

About 5-(4-chloro-2-methylpentan-2-yl)-2-methylpyridine

5-(4-chloro-2-methylpentan-2-yl)-2-methylpyridine (PubChem CID 64717476) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 5-(4-chloro-2-methylpentan-2-yl)-2-methylpyridine.

Molecular Properties

Compound Name5-(4-chloro-2-methylpentan-2-yl)-2-methylpyridine
PubChem CID64717476
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name5-(4-chloro-2-methylpentan-2-yl)-2-methylpyridine
SMILESCc1ccc(C(C)(C)CC(C)Cl)cn1
InChIInChI=1S/C12H18ClN/c1-9(13)7-12(3,4)11-6-5-10(2)14-8-11/h5-6,8-9H,7H2,1-4H3
InChIKeyZMZQWMKUGZHADG-UHFFFAOYSA-N
XLogP3.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.69
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

5-tert-butyl-2-methylpyridine;methane
CID 157425273
5-tert-butyl-2-methylpyridine;ethane
CID 162055015
2-methyl-3-(6-methyl-3-pyridinyl)pentan-3-ol
CID 63155846
3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridine
CID 115375381
5-(1,1-difluoroethyl)-2-methylpyridine;ethane
CID 145136619
1-(4-chloro-2-methylpentan-2-yl)-4-cyclopropyloxybenzene
CID 114520237
4-(4-chloro-2-methylpentan-2-yl)-1-fluoro-2-(trifluoromethyl)benzene
CID 107290343
2-methyl-5-(trifluoromethyl)pyridine
CID 18361873
(1R)-1-iodo-1-(6-methyl-3-pyridinyl)ethanamine
CID 67304354
3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridin-2-amine
CID 64716420
1-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol
CID 63155579
2-methyl-5-(2-nitrosopropan-2-yl)pyridine
CID 126747574

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methylpentan-2-yl)-2-methylpyridine?
The IUPAC name of 5-(4-chloro-2-methylpentan-2-yl)-2-methylpyridine (CID 64717476) is 5-(4-chloro-2-methylpentan-2-yl)-2-methylpyridine.
What is the SMILES notation for 5-(4-chloro-2-methylpentan-2-yl)-2-methylpyridine?
The canonical SMILES for 5-(4-chloro-2-methylpentan-2-yl)-2-methylpyridine is Cc1ccc(C(C)(C)CC(C)Cl)cn1.
What is the InChIKey of 5-(4-chloro-2-methylpentan-2-yl)-2-methylpyridine?
The InChIKey is ZMZQWMKUGZHADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-9(13)7-12(3,4)11-6-5-10(2)14-8-11/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 5-(4-chloro-2-methylpentan-2-yl)-2-methylpyridine?
5-(4-chloro-2-methylpentan-2-yl)-2-methylpyridine has a molecular weight of 211.74 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-methylpentan-2-yl)-2-methylpyridine is sourced from PubChem (CID 64717476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).