(3-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol

C13H8ClF4NO — CID 107292098

IUPAC(3-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)c(F)c1)c1ccncc1Cl
InChIInChI=1S/C13H8ClF4NO/c14-10-6-19-4-3-8(10)12(20)7-1-2-9(11(15)5-7)13(16,17)18/h1-6,12,20H
InChIKeyCLYMBDNEXCDONR-UHFFFAOYSA-N
MW305.66 g/mol
LogP3.97
Rot. Bonds2

About (3-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol

(3-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol (PubChem CID 107292098) has the molecular formula C13H8ClF4NO and a molecular weight of 305.66 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
PubChem CID107292098
Molecular FormulaC13H8ClF4NO
Molecular Weight305.66 g/mol
Exact Mass305.02
IUPAC Name(3-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)c(F)c1)c1ccncc1Cl
InChIInChI=1S/C13H8ClF4NO/c14-10-6-19-4-3-8(10)12(20)7-1-2-9(11(15)5-7)13(16,17)18/h1-6,12,20H
InChIKeyCLYMBDNEXCDONR-UHFFFAOYSA-N
XLogP3.97
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.66
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-fluoro-4-(trifluoromethyl)phenyl]-(3-methoxy-4-pyridinyl)methanol
CID 107292052
(2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107288455
(2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287213
(5-chloro-1,3-thiazol-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287944
(2,4-dimethylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287245
(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107292014
(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol
CID 105094409
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290
(2-bromo-4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707425
1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818370
(3-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 105142603
(3-chloro-4-pyridinyl)-(3-propylphenyl)methanol
CID 105131021

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (3-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol (CID 107292098) is (3-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (3-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (3-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(C(F)(F)F)c(F)c1)c1ccncc1Cl.
What is the InChIKey of (3-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is CLYMBDNEXCDONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF4NO/c14-10-6-19-4-3-8(10)12(20)7-1-2-9(11(15)5-7)13(16,17)18/h1-6,12,20H.
What are the key properties of (3-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
(3-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 305.66 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 107292098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).