3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine

C13H7F6N — CID 174650636

IUPAC3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2ccncc2C(F)(F)F)cc1
InChIInChI=1S/C13H7F6N/c14-12(15,16)9-3-1-8(2-4-9)10-5-6-20-7-11(10)13(17,18)19/h1-7H
InChIKeyTVZQDEULNDVANE-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.79
Rot. Bonds1

About 3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine

3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 174650636) has the molecular formula C13H7F6N and a molecular weight of 291.19 g/mol. Its IUPAC name is 3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID174650636
Molecular FormulaC13H7F6N
Molecular Weight291.19 g/mol
Exact Mass291.05
IUPAC Name3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2ccncc2C(F)(F)F)cc1
InChIInChI=1S/C13H7F6N/c14-12(15,16)9-3-1-8(2-4-9)10-5-6-20-7-11(10)13(17,18)19/h1-7H
InChIKeyTVZQDEULNDVANE-UHFFFAOYSA-N
XLogP4.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 82382595
3-[4-(trifluoromethyl)phenyl]furo[2,3-c]pyridine
CID 154465220
5-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 119003597
2-[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile
CID 134622080
5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline
CID 59183616
4-[4-(trifluoromethyl)-3-pyridinyl]benzaldehyde
CID 102708678
3,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134623472
4-(trifluoromethyl)pyridin-3-ol
CID 25210497
4-[4-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 143047757
4-[4-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]pyridine
CID 169293640
2,6-bis[4-(trifluoromethyl)phenyl]pyrazine
CID 44532794
2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 850834

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine (CID 174650636) is 3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1ccc(-c2ccncc2C(F)(F)F)cc1.
What is the InChIKey of 3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is TVZQDEULNDVANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F6N/c14-12(15,16)9-3-1-8(2-4-9)10-5-6-20-7-11(10)13(17,18)19/h1-7H.
What are the key properties of 3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine?
3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 291.19 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 174650636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).