2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine

C14H12F3N — CID 145031967

IUPAC2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(-c2ccccc2C(F)(F)F)cnc1C
InChIInChI=1S/C14H12F3N/c1-9-7-11(8-18-10(9)2)12-5-3-4-6-13(12)14(15,16)17/h3-8H,1-2H3
InChIKeyYANCMBMWFOPAAR-UHFFFAOYSA-N
MW251.25 g/mol
LogP4.38
Rot. Bonds1

About 2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine

2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine (PubChem CID 145031967) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is 2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine
PubChem CID145031967
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC Name2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(-c2ccccc2C(F)(F)F)cnc1C
InChIInChI=1S/C14H12F3N/c1-9-7-11(8-18-10(9)2)12-5-3-4-6-13(12)14(15,16)17/h3-8H,1-2H3
InChIKeyYANCMBMWFOPAAR-UHFFFAOYSA-N
XLogP4.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine
CID 118815216
2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine
CID 134624057
N-methyl-5-[2-(trifluoromethyl)phenyl]pyridin-2-amine
CID 143910829
1,2-dimethyl-4-[2-(trifluoromethyl)phenyl]benzene;ethane;methanol
CID 143634112
2-methyl-4-[2-(trifluoromethyl)phenyl]phenol
CID 53219065
1-iodo-2-methyl-4-[2-(trifluoromethyl)phenyl]benzene
CID 134628313
2-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine
CID 126582882
3,5-bis[2-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
CID 134623343
1-[2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine;hydrochloride
CID 172876616
2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene
CID 123409269
2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 118998520
2-[3,5-bis[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134623346

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine (CID 145031967) is 2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine is Cc1cc(-c2ccccc2C(F)(F)F)cnc1C.
What is the InChIKey of 2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine?
The InChIKey is YANCMBMWFOPAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c1-9-7-11(8-18-10(9)2)12-5-3-4-6-13(12)14(15,16)17/h3-8H,1-2H3.
What are the key properties of 2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine?
2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine has a molecular weight of 251.25 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 145031967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).