(2-fluorophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol

C19H13F4NO — CID 56682630

IUPAC(2-fluorophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)(c1cccnc1)c1ccccc1F
InChIInChI=1S/C19H13F4NO/c20-17-6-2-1-5-16(17)18(25,15-4-3-11-24-12-15)13-7-9-14(10-8-13)19(21,22)23/h1-12,25H
InChIKeyKTIOXJOAXPXZHZ-UHFFFAOYSA-N
MW347.31 g/mol
LogP4.52
Rot. Bonds3

About (2-fluorophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol

(2-fluorophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 56682630) has the molecular formula C19H13F4NO and a molecular weight of 347.31 g/mol. Its IUPAC name is (2-fluorophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(2-fluorophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
PubChem CID56682630
Molecular FormulaC19H13F4NO
Molecular Weight347.31 g/mol
Exact Mass347.09
IUPAC Name(2-fluorophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)(c1cccnc1)c1ccccc1F
InChIInChI=1S/C19H13F4NO/c20-17-6-2-1-5-16(17)18(25,15-4-3-11-24-12-15)13-7-9-14(10-8-13)19(21,22)23/h1-12,25H
InChIKeyKTIOXJOAXPXZHZ-UHFFFAOYSA-N
XLogP4.52
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (2-fluorophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol (CID 56682630) is (2-fluorophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (2-fluorophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (2-fluorophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(C(F)(F)F)cc1)(c1cccnc1)c1ccccc1F.
What is the InChIKey of (2-fluorophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is KTIOXJOAXPXZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4NO/c20-17-6-2-1-5-16(17)18(25,15-4-3-11-24-12-15)13-7-9-14(10-8-13)19(21,22)23/h1-12,25H.
What are the key properties of (2-fluorophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
(2-fluorophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 347.31 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 56682630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).