3-(3-methylphenyl)-5-(trifluoromethyl)pyridine

C13H10F3N — CID 59578611

IUPAC3-(3-methylphenyl)-5-(trifluoromethyl)pyridine
SMILESCc1cccc(-c2cncc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H10F3N/c1-9-3-2-4-10(5-9)11-6-12(8-17-7-11)13(14,15)16/h2-8H,1H3
InChIKeyZXVMWHULMNISAW-UHFFFAOYSA-N
MW237.22 g/mol
LogP4.08
Rot. Bonds1

About 3-(3-methylphenyl)-5-(trifluoromethyl)pyridine

3-(3-methylphenyl)-5-(trifluoromethyl)pyridine (PubChem CID 59578611) has the molecular formula C13H10F3N and a molecular weight of 237.22 g/mol. Its IUPAC name is 3-(3-methylphenyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(3-methylphenyl)-5-(trifluoromethyl)pyridine
PubChem CID59578611
Molecular FormulaC13H10F3N
Molecular Weight237.22 g/mol
Exact Mass237.08
IUPAC Name3-(3-methylphenyl)-5-(trifluoromethyl)pyridine
SMILESCc1cccc(-c2cncc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H10F3N/c1-9-3-2-4-10(5-9)11-6-12(8-17-7-11)13(14,15)16/h2-8H,1H3
InChIKeyZXVMWHULMNISAW-UHFFFAOYSA-N
XLogP4.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-5-(trifluoromethyl)pyridine
CID 143745835
1-bromo-3-(3-methylphenyl)-5-(trifluoromethyl)benzene
CID 54289546
2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine
CID 163288516
[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
CID 24729851
5-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 24729811
methylidenephosphane;3-(3-methylphenyl)pyridine
CID 144875841
5-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 162568225
3-(4-nitrophenyl)-5-(trifluoromethyl)pyridine
CID 169048289
N-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]ethanamine
CID 46044426
1-methyl-6-[5-(trifluoromethyl)-3-pyridinyl]indole
CID 150729998
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
ethane;propane-2-thiol;5-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 143531112

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-(3-methylphenyl)-5-(trifluoromethyl)pyridine (CID 59578611) is 3-(3-methylphenyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(3-methylphenyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(3-methylphenyl)-5-(trifluoromethyl)pyridine is Cc1cccc(-c2cncc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-(3-methylphenyl)-5-(trifluoromethyl)pyridine?
The InChIKey is ZXVMWHULMNISAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N/c1-9-3-2-4-10(5-9)11-6-12(8-17-7-11)13(14,15)16/h2-8H,1H3.
What are the key properties of 3-(3-methylphenyl)-5-(trifluoromethyl)pyridine?
3-(3-methylphenyl)-5-(trifluoromethyl)pyridine has a molecular weight of 237.22 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 59578611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).