2-[2-(1-cyclopropylethenyl)-3,5-difluoro-6-(4-fluorophenyl)-4-pyridinyl]propan-2-ol

C19H18F3NO — CID 156895965

IUPAC2-[2-(1-cyclopropylethenyl)-3,5-difluoro-6-(4-fluorophenyl)-4-pyridinyl]propan-2-ol
SMILESC=C(c1nc(-c2ccc(F)cc2)c(F)c(C(C)(C)O)c1F)C1CC1
InChIInChI=1S/C19H18F3NO/c1-10(11-4-5-11)17-15(21)14(19(2,3)24)16(22)18(23-17)12-6-8-13(20)9-7-12/h6-9,11,24H,1,4-5H2,2-3H3
InChIKeyFQZKOQCRAPYWHG-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.82
Rot. Bonds4

About 2-[2-(1-cyclopropylethenyl)-3,5-difluoro-6-(4-fluorophenyl)-4-pyridinyl]propan-2-ol

2-[2-(1-cyclopropylethenyl)-3,5-difluoro-6-(4-fluorophenyl)-4-pyridinyl]propan-2-ol (PubChem CID 156895965) has the molecular formula C19H18F3NO and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-[2-(1-cyclopropylethenyl)-3,5-difluoro-6-(4-fluorophenyl)-4-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(1-cyclopropylethenyl)-3,5-difluoro-6-(4-fluorophenyl)-4-pyridinyl]propan-2-ol
PubChem CID156895965
Molecular FormulaC19H18F3NO
Molecular Weight333.35 g/mol
Exact Mass333.13
IUPAC Name2-[2-(1-cyclopropylethenyl)-3,5-difluoro-6-(4-fluorophenyl)-4-pyridinyl]propan-2-ol
SMILESC=C(c1nc(-c2ccc(F)cc2)c(F)c(C(C)(C)O)c1F)C1CC1
InChIInChI=1S/C19H18F3NO/c1-10(11-4-5-11)17-15(21)14(19(2,3)24)16(22)18(23-17)12-6-8-13(20)9-7-12/h6-9,11,24H,1,4-5H2,2-3H3
InChIKeyFQZKOQCRAPYWHG-UHFFFAOYSA-N
XLogP4.82
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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 2-[2-(1-cyclopropylethenyl)-3,5-difluoro-6-(4-fluorophenyl)-4-pyridinyl]propan-2-ol?
The IUPAC name of 2-[2-(1-cyclopropylethenyl)-3,5-difluoro-6-(4-fluorophenyl)-4-pyridinyl]propan-2-ol (CID 156895965) is 2-[2-(1-cyclopropylethenyl)-3,5-difluoro-6-(4-fluorophenyl)-4-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[2-(1-cyclopropylethenyl)-3,5-difluoro-6-(4-fluorophenyl)-4-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[2-(1-cyclopropylethenyl)-3,5-difluoro-6-(4-fluorophenyl)-4-pyridinyl]propan-2-ol is C=C(c1nc(-c2ccc(F)cc2)c(F)c(C(C)(C)O)c1F)C1CC1.
What is the InChIKey of 2-[2-(1-cyclopropylethenyl)-3,5-difluoro-6-(4-fluorophenyl)-4-pyridinyl]propan-2-ol?
The InChIKey is FQZKOQCRAPYWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO/c1-10(11-4-5-11)17-15(21)14(19(2,3)24)16(22)18(23-17)12-6-8-13(20)9-7-12/h6-9,11,24H,1,4-5H2,2-3H3.
What are the key properties of 2-[2-(1-cyclopropylethenyl)-3,5-difluoro-6-(4-fluorophenyl)-4-pyridinyl]propan-2-ol?
2-[2-(1-cyclopropylethenyl)-3,5-difluoro-6-(4-fluorophenyl)-4-pyridinyl]propan-2-ol has a molecular weight of 333.35 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-cyclopropylethenyl)-3,5-difluoro-6-(4-fluorophenyl)-4-pyridinyl]propan-2-ol is sourced from PubChem (CID 156895965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).