1-methyl-4-(trifluoromethyl)pyridine

C7H6F3N — CID 135246385

IUPAC1-methyl-4-(trifluoromethyl)pyridine
SMILESCN1C=C=C(C(F)(F)F)C=C1
InChIInChI=1S/C7H6F3N/c1-11-4-2-6(3-5-11)7(8,9)10/h2,4-5H,1H3
InChIKeyURYYYRMXPSJJKC-UHFFFAOYSA-N
MW161.13 g/mol
LogP2.05
Rot. Bonds

About 1-methyl-4-(trifluoromethyl)pyridine

1-methyl-4-(trifluoromethyl)pyridine (PubChem CID 135246385) has the molecular formula C7H6F3N and a molecular weight of 161.13 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethyl)pyridine
PubChem CID135246385
Molecular FormulaC7H6F3N
Molecular Weight161.13 g/mol
Exact Mass161.05
IUPAC Name1-methyl-4-(trifluoromethyl)pyridine
SMILESCN1C=C=C(C(F)(F)F)C=C1
InChIInChI=1S/C7H6F3N/c1-11-4-2-6(3-5-11)7(8,9)10/h2,4-5H,1H3
InChIKeyURYYYRMXPSJJKC-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.13
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1Z)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine
CID 88860697
1-Methyl-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine
CID 118952259
1-methyl-4-(trifluoromethyl)-2H-pyridine
CID 121391423
(1Z)-N,N-dimethyl-3-(trifluoromethyl)buta-1,3-dien-1-amine
CID 148938841
4-(difluoromethyl)-1-methyl-2H-pyridine
CID 154965375
(1Z)-N-(difluoromethyl)-N,3-dimethylbuta-1,3-dien-1-amine
CID 155197555
4-methyl-1-(trifluoromethyl)-2H-pyridine
CID 156101157
(1E)-N,N-dimethyl-2-(trifluoromethyl)buta-1,3-dien-1-amine
CID 166783133
4-(Fluoromethylidene)pyridin-1-ide
CID 21626992
1-methyl-3-(trifluoromethyl)-4H-pyridine
CID 102267785
3,5-Difluoro-1-methyl-4-methylidenepyridine
CID 157898649
1-(trifluoromethyl)-4H-pyridine
CID 162568104

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethyl)pyridine?
The IUPAC name of 1-methyl-4-(trifluoromethyl)pyridine (CID 135246385) is 1-methyl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-methyl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 1-methyl-4-(trifluoromethyl)pyridine is CN1C=C=C(C(F)(F)F)C=C1.
What is the InChIKey of 1-methyl-4-(trifluoromethyl)pyridine?
The InChIKey is URYYYRMXPSJJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N/c1-11-4-2-6(3-5-11)7(8,9)10/h2,4-5H,1H3.
What are the key properties of 1-methyl-4-(trifluoromethyl)pyridine?
1-methyl-4-(trifluoromethyl)pyridine has a molecular weight of 161.13 g/mol, XLogP of 2.05, 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)pyridine is sourced from PubChem (CID 135246385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).