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

C14H9F6N — CID 144740114

IUPAC2-[2-methyl-3,5-bis(trifluoromethyl)phenyl]pyridine
SMILESCc1c(-c2ccccn2)cc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C14H9F6N/c1-8-10(12-4-2-3-5-21-12)6-9(13(15,16)17)7-11(8)14(18,19)20/h2-7H,1H3
InChIKeyYIIKFXFQZZMJBJ-UHFFFAOYSA-N
MW305.22 g/mol
LogP5.09
Rot. Bonds1

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

2-[2-methyl-3,5-bis(trifluoromethyl)phenyl]pyridine (PubChem CID 144740114) has the molecular formula C14H9F6N and a molecular weight of 305.22 g/mol. Its IUPAC name is 2-[2-methyl-3,5-bis(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[2-methyl-3,5-bis(trifluoromethyl)phenyl]pyridine
PubChem CID144740114
Molecular FormulaC14H9F6N
Molecular Weight305.22 g/mol
Exact Mass305.06
IUPAC Name2-[2-methyl-3,5-bis(trifluoromethyl)phenyl]pyridine
SMILESCc1c(-c2ccccn2)cc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C14H9F6N/c1-8-10(12-4-2-3-5-21-12)6-9(13(15,16)17)7-11(8)14(18,19)20/h2-7H,1H3
InChIKeyYIIKFXFQZZMJBJ-UHFFFAOYSA-N
XLogP5.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.22
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyridine
CID 58939585
2-(5-tert-butyl-3-fluoro-2-methylphenyl)pyridine
CID 164927236
2-[2-[(E)-prop-1-enyl]-5-(trifluoromethyl)phenyl]pyridine
CID 11964180
5-fluoro-2-pyridin-2-yl-4-(trifluoromethyl)aniline
CID 163811294
2-[2-[(E)-2-(2-methylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]pyridine
CID 102107805
2-[5-tert-butyl-2-(4-tert-butyl-2-pyridin-2-ylphenyl)phenyl]pyridine
CID 155908951
4-methyl-5-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]pyridine
CID 168822169
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
2-phenyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine
CID 135069582
3-pyridin-2-yl-2-(trifluoromethyl)pyridine
CID 68525561
3,4-dimethyl-5-pyridin-2-ylaniline
CID 165495051
[2-methyl-4,6-bis(trifluoromethyl)phenyl]-diphenylsulfanium
CID 158764724

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3,5-bis(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-[2-methyl-3,5-bis(trifluoromethyl)phenyl]pyridine (CID 144740114) is 2-[2-methyl-3,5-bis(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-[2-methyl-3,5-bis(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-[2-methyl-3,5-bis(trifluoromethyl)phenyl]pyridine is Cc1c(-c2ccccn2)cc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 2-[2-methyl-3,5-bis(trifluoromethyl)phenyl]pyridine?
The InChIKey is YIIKFXFQZZMJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N/c1-8-10(12-4-2-3-5-21-12)6-9(13(15,16)17)7-11(8)14(18,19)20/h2-7H,1H3.
What are the key properties of 2-[2-methyl-3,5-bis(trifluoromethyl)phenyl]pyridine?
2-[2-methyl-3,5-bis(trifluoromethyl)phenyl]pyridine has a molecular weight of 305.22 g/mol, XLogP of 5.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3,5-bis(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 144740114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).