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

C15H8F9N — CID 169072353

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)cnc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H8F9N/c1-7-2-11(15(22,23)24)6-25-12(7)8-3-9(13(16,17)18)5-10(4-8)14(19,20)21/h2-6H,1H3
InChIKeyHHMDCUVQKMJUGG-UHFFFAOYSA-N
MW373.22 g/mol
LogP6.11
Rot. Bonds1

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

2-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)pyridine (PubChem CID 169072353) has the molecular formula C15H8F9N and a molecular weight of 373.22 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)pyridine
PubChem CID169072353
Molecular FormulaC15H8F9N
Molecular Weight373.22 g/mol
Exact Mass373.05
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)cnc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H8F9N/c1-7-2-11(15(22,23)24)6-25-12(7)8-3-9(13(16,17)18)5-10(4-8)14(19,20)21/h2-6H,1H3
InChIKeyHHMDCUVQKMJUGG-UHFFFAOYSA-N
XLogP6.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.22
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrimidine
CID 143532720
2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 172913846
3-chloro-2-[3-methyl-5-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 142577160
3-methyl-5-(trifluoromethyl)pyridine
CID 143745835
3-iodo-2-methyl-5-(trifluoromethyl)pyridine
CID 84715472
2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909577
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133092048
3-[3,5-bis(trifluoromethyl)phenyl]isoquinoline
CID 138972935
3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine
CID 133090076
2-[3,5-bis(trifluoromethyl)phenyl]pyrimidine
CID 54057342
3-(3-methylphenyl)-5-(trifluoromethyl)pyridine
CID 59578611
5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butylpyridine
CID 20709477

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)pyridine (CID 169072353) is 2-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)pyridine is Cc1cc(C(F)(F)F)cnc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)pyridine?
The InChIKey is HHMDCUVQKMJUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F9N/c1-7-2-11(15(22,23)24)6-25-12(7)8-3-9(13(16,17)18)5-10(4-8)14(19,20)21/h2-6H,1H3.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)pyridine?
2-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)pyridine has a molecular weight of 373.22 g/mol, XLogP of 6.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 169072353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).