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

C19H13ClF3NO — CID 56675903

IUPAC(4-chlorophenyl)-pyridin-3-yl-[2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H13ClF3NO/c20-15-9-7-13(8-10-15)18(25,14-4-3-11-24-12-14)16-5-1-2-6-17(16)19(21,22)23/h1-12,25H
InChIKeyFRGFYHMBBWYTGH-UHFFFAOYSA-N
MW363.77 g/mol
LogP5.04
Rot. Bonds3

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

(4-chlorophenyl)-pyridin-3-yl-[2-(trifluoromethyl)phenyl]methanol (PubChem CID 56675903) has the molecular formula C19H13ClF3NO and a molecular weight of 363.77 g/mol. Its IUPAC name is (4-chlorophenyl)-pyridin-3-yl-[2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-pyridin-3-yl-[2-(trifluoromethyl)phenyl]methanol
PubChem CID56675903
Molecular FormulaC19H13ClF3NO
Molecular Weight363.77 g/mol
Exact Mass363.06
IUPAC Name(4-chlorophenyl)-pyridin-3-yl-[2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H13ClF3NO/c20-15-9-7-13(8-10-15)18(25,14-4-3-11-24-12-14)16-5-1-2-6-17(16)19(21,22)23/h1-12,25H
InChIKeyFRGFYHMBBWYTGH-UHFFFAOYSA-N
XLogP5.04
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.77
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-pyridin-3-yl-[2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (4-chlorophenyl)-pyridin-3-yl-[2-(trifluoromethyl)phenyl]methanol (CID 56675903) is (4-chlorophenyl)-pyridin-3-yl-[2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (4-chlorophenyl)-pyridin-3-yl-[2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (4-chlorophenyl)-pyridin-3-yl-[2-(trifluoromethyl)phenyl]methanol is OC(c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1C(F)(F)F.
What is the InChIKey of (4-chlorophenyl)-pyridin-3-yl-[2-(trifluoromethyl)phenyl]methanol?
The InChIKey is FRGFYHMBBWYTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3NO/c20-15-9-7-13(8-10-15)18(25,14-4-3-11-24-12-14)16-5-1-2-6-17(16)19(21,22)23/h1-12,25H.
What are the key properties of (4-chlorophenyl)-pyridin-3-yl-[2-(trifluoromethyl)phenyl]methanol?
(4-chlorophenyl)-pyridin-3-yl-[2-(trifluoromethyl)phenyl]methanol has a molecular weight of 363.77 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-pyridin-3-yl-[2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 56675903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).