(4-chlorophenyl)-[2-(difluoromethyl)-4-(4-fluorophenyl)-5-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol

C21H14ClF6NO — CID 21352649

IUPAC(4-chlorophenyl)-[2-(difluoromethyl)-4-(4-fluorophenyl)-5-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCc1c(C(F)(F)F)nc(C(F)F)c(C(O)c2ccc(Cl)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C21H14ClF6NO/c1-10-15(11-4-8-14(23)9-5-11)16(18(30)12-2-6-13(22)7-3-12)17(20(24)25)29-19(10)21(26,27)28/h2-9,18,20,30H,1H3
InChIKeyADRPHDVYMOENKT-UHFFFAOYSA-N
MW445.79 g/mol
LogP6.89
Rot. Bonds4

About (4-chlorophenyl)-[2-(difluoromethyl)-4-(4-fluorophenyl)-5-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol

(4-chlorophenyl)-[2-(difluoromethyl)-4-(4-fluorophenyl)-5-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 21352649) has the molecular formula C21H14ClF6NO and a molecular weight of 445.79 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(difluoromethyl)-4-(4-fluorophenyl)-5-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-(difluoromethyl)-4-(4-fluorophenyl)-5-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID21352649
Molecular FormulaC21H14ClF6NO
Molecular Weight445.79 g/mol
Exact Mass445.07
IUPAC Name(4-chlorophenyl)-[2-(difluoromethyl)-4-(4-fluorophenyl)-5-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCc1c(C(F)(F)F)nc(C(F)F)c(C(O)c2ccc(Cl)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C21H14ClF6NO/c1-10-15(11-4-8-14(23)9-5-11)16(18(30)12-2-6-13(22)7-3-12)17(20(24)25)29-19(10)21(26,27)28/h2-9,18,20,30H,1H3
InChIKeyADRPHDVYMOENKT-UHFFFAOYSA-N
XLogP6.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.79
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-chlorophenyl)-[2-(difluoromethyl)-4-(4-fluorophenyl)-5-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol with MolForge

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Related Compounds

(+)-(1R)-1-[4-(4-fluorophenyl)-2,6-diisopropyl-5-propylpyridin-3-yl]ethanol
CID 9906120
(+)-2,6-Diisopropyl-3-(1-hydroxyethyl)-4-(4-fluorophenyl)-5-propylpyridine
CID 11186974
1-[4-(4-Fluoro-phenyl)-2,6-diisopropyl-5-pentyl-pyridin-3-yl]-ethanol
CID 22004872
[5-Ethyl-4-(4-fluoro-phenyl)-2,6-diisopropyl-pyridin-3-yl]-methanol
CID 22004918
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-pentylpyridine
CID 22004955
1-[4-(4-Fluoro-phenyl)-5-hexyl-2,6-diisopropyl-pyridin-3-yl]-ethanol
CID 22004988
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-hexylpyridine
CID 22005015
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-heptylpyridine
CID 22005069
[5-Butyl-4-(4-fluoro-phenyl)-2,6-diisopropyl-pyridin-3-yl]-methanol
CID 22005107
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-propylpyridine
CID 22005204
1-[5-Butyl-4-(4-fluoro-phenyl)-2,6-diisopropyl-pyridin-3-yl]-ethanol
CID 22005250
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-(3-methylbutyl)pyridine
CID 22005339

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-(difluoromethyl)-4-(4-fluorophenyl)-5-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of (4-chlorophenyl)-[2-(difluoromethyl)-4-(4-fluorophenyl)-5-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol (CID 21352649) is (4-chlorophenyl)-[2-(difluoromethyl)-4-(4-fluorophenyl)-5-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for (4-chlorophenyl)-[2-(difluoromethyl)-4-(4-fluorophenyl)-5-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for (4-chlorophenyl)-[2-(difluoromethyl)-4-(4-fluorophenyl)-5-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol is Cc1c(C(F)(F)F)nc(C(F)F)c(C(O)c2ccc(Cl)cc2)c1-c1ccc(F)cc1.
What is the InChIKey of (4-chlorophenyl)-[2-(difluoromethyl)-4-(4-fluorophenyl)-5-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is ADRPHDVYMOENKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF6NO/c1-10-15(11-4-8-14(23)9-5-11)16(18(30)12-2-6-13(22)7-3-12)17(20(24)25)29-19(10)21(26,27)28/h2-9,18,20,30H,1H3.
What are the key properties of (4-chlorophenyl)-[2-(difluoromethyl)-4-(4-fluorophenyl)-5-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol?
(4-chlorophenyl)-[2-(difluoromethyl)-4-(4-fluorophenyl)-5-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 445.79 g/mol, XLogP of 6.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-(difluoromethyl)-4-(4-fluorophenyl)-5-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 21352649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).