(4-chlorophenyl)-[2-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethanol

C19H12ClF4NO — CID 56662415

IUPAC(4-chlorophenyl)-[2-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cccnc1)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C19H12ClF4NO/c20-15-6-3-12(4-7-15)18(26,14-2-1-9-25-11-14)16-8-5-13(10-17(16)21)19(22,23)24/h1-11,26H
InChIKeyVRLLBFLONMTLAT-UHFFFAOYSA-N
MW381.76 g/mol
LogP5.18
Rot. Bonds3

About (4-chlorophenyl)-[2-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethanol

(4-chlorophenyl)-[2-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethanol (PubChem CID 56662415) has the molecular formula C19H12ClF4NO and a molecular weight of 381.76 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethanol
PubChem CID56662415
Molecular FormulaC19H12ClF4NO
Molecular Weight381.76 g/mol
Exact Mass381.05
IUPAC Name(4-chlorophenyl)-[2-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cccnc1)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C19H12ClF4NO/c20-15-6-3-12(4-7-15)18(26,14-2-1-9-25-11-14)16-8-5-13(10-17(16)21)19(22,23)24/h1-11,26H
InChIKeyVRLLBFLONMTLAT-UHFFFAOYSA-N
XLogP5.18
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.76
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethanol?
The IUPAC name of (4-chlorophenyl)-[2-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethanol (CID 56662415) is (4-chlorophenyl)-[2-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethanol.
What is the SMILES notation for (4-chlorophenyl)-[2-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethanol?
The canonical SMILES for (4-chlorophenyl)-[2-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethanol is OC(c1ccc(Cl)cc1)(c1cccnc1)c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of (4-chlorophenyl)-[2-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethanol?
The InChIKey is VRLLBFLONMTLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF4NO/c20-15-6-3-12(4-7-15)18(26,14-2-1-9-25-11-14)16-8-5-13(10-17(16)21)19(22,23)24/h1-11,26H.
What are the key properties of (4-chlorophenyl)-[2-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethanol?
(4-chlorophenyl)-[2-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethanol has a molecular weight of 381.76 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethanol is sourced from PubChem (CID 56662415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).