4-methyl-5-(2-methylpropyl)-2-(trifluoromethyl)pyridine

C11H14F3N — CID 177015926

IUPAC4-methyl-5-(2-methylpropyl)-2-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)ncc1CC(C)C
InChIInChI=1S/C11H14F3N/c1-7(2)4-9-6-15-10(5-8(9)3)11(12,13)14/h5-7H,4H2,1-3H3
InChIKeyDVHJKNPGBAMCSM-UHFFFAOYSA-N
MW217.23 g/mol
LogP3.61
Rot. Bonds2

About 4-methyl-5-(2-methylpropyl)-2-(trifluoromethyl)pyridine

4-methyl-5-(2-methylpropyl)-2-(trifluoromethyl)pyridine (PubChem CID 177015926) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-methyl-5-(2-methylpropyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-methyl-5-(2-methylpropyl)-2-(trifluoromethyl)pyridine
PubChem CID177015926
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name4-methyl-5-(2-methylpropyl)-2-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)ncc1CC(C)C
InChIInChI=1S/C11H14F3N/c1-7(2)4-9-6-15-10(5-8(9)3)11(12,13)14/h5-7H,4H2,1-3H3
InChIKeyDVHJKNPGBAMCSM-UHFFFAOYSA-N
XLogP3.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 144790019
CID 144790019
1-(1H-indol-2-yl)-N-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 166317215
[methyl-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]-oxo-λ6-sulfanylidene]cyanamide
CID 162605120
1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]propan-2-amine
CID 175968743
4-bromo-5-methyl-2-(trifluoromethyl)pyridine
CID 91757612
1,2,4-trimethyl-5-(2-methylpropyl)benzene
CID 22968949
4-methyl-5-nitro-2-(trifluoromethyl)pyridine
CID 53414275
1-fluoro-2,4-dimethyl-5-(2-methylpropyl)benzene
CID 160613848
[4,6-bis(trifluoromethyl)-3-pyridinyl]methanol
CID 131282987
[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 118827482
[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130116089
2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine
CID 14293969

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylpropyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-methyl-5-(2-methylpropyl)-2-(trifluoromethyl)pyridine (CID 177015926) is 4-methyl-5-(2-methylpropyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-methyl-5-(2-methylpropyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-methyl-5-(2-methylpropyl)-2-(trifluoromethyl)pyridine is Cc1cc(C(F)(F)F)ncc1CC(C)C.
What is the InChIKey of 4-methyl-5-(2-methylpropyl)-2-(trifluoromethyl)pyridine?
The InChIKey is DVHJKNPGBAMCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-7(2)4-9-6-15-10(5-8(9)3)11(12,13)14/h5-7H,4H2,1-3H3.
What are the key properties of 4-methyl-5-(2-methylpropyl)-2-(trifluoromethyl)pyridine?
4-methyl-5-(2-methylpropyl)-2-(trifluoromethyl)pyridine has a molecular weight of 217.23 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylpropyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 177015926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).