1-methyl-4-(trifluoromethyl)-2H-pyridine

C7H8F3N — CID 121391423

IUPAC1-methyl-4-(trifluoromethyl)-2H-pyridine
SMILESCN1C=CC(C(F)(F)F)=CC1
InChIInChI=1S/C7H8F3N/c1-11-4-2-6(3-5-11)7(8,9)10/h2-4H,5H2,1H3
InChIKeyFTSICARUKBBCIG-UHFFFAOYSA-N
MW163.14 g/mol
LogP1.93
Rot. Bonds

About 1-methyl-4-(trifluoromethyl)-2H-pyridine

1-methyl-4-(trifluoromethyl)-2H-pyridine (PubChem CID 121391423) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethyl)-2H-pyridine
PubChem CID121391423
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name1-methyl-4-(trifluoromethyl)-2H-pyridine
SMILESCN1C=CC(C(F)(F)F)=CC1
InChIInChI=1S/C7H8F3N/c1-11-4-2-6(3-5-11)7(8,9)10/h2-4H,5H2,1H3
InChIKeyFTSICARUKBBCIG-UHFFFAOYSA-N
XLogP1.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-Dimethyl-1,2-dihydropyridine
CID 13496664
4-vinyl-N-ethylpyridine
CID 22178796
n-Methyl-4-vinylpyridine
CID 22463631
1-bromo-4-(trifluoromethyl)-2H-pyridine
CID 21977644
(1Z)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine
CID 88860697
1-(2,2,2-trifluoroethyl)-2H-pyridine
CID 90887733
1-Methyl-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine
CID 118952259
1-Ethyl-2-methylidene-5-(trifluoromethyl)pyridine
CID 123548735
1,1,3-trimethyl-5-(trifluoromethyl)-2H-pyridin-1-ium
CID 123991187
(1E,3E)-N,N-dimethyl-3-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 129195925
1-(2,2-difluoroethyl)-5-methyl-2H-pyridine
CID 130252923
1-Methyl-4-(trifluoromethyl)pyridine
CID 135246385

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethyl)-2H-pyridine?
The IUPAC name of 1-methyl-4-(trifluoromethyl)-2H-pyridine (CID 121391423) is 1-methyl-4-(trifluoromethyl)-2H-pyridine.
What is the SMILES notation for 1-methyl-4-(trifluoromethyl)-2H-pyridine?
The canonical SMILES for 1-methyl-4-(trifluoromethyl)-2H-pyridine is CN1C=CC(C(F)(F)F)=CC1.
What is the InChIKey of 1-methyl-4-(trifluoromethyl)-2H-pyridine?
The InChIKey is FTSICARUKBBCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c1-11-4-2-6(3-5-11)7(8,9)10/h2-4H,5H2,1H3.
What are the key properties of 1-methyl-4-(trifluoromethyl)-2H-pyridine?
1-methyl-4-(trifluoromethyl)-2H-pyridine has a molecular weight of 163.14 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethyl)-2H-pyridine is sourced from PubChem (CID 121391423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).