2-[6-[(Z)-1-bromopent-2-en-2-yl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol

C19H20BrF2NO — CID 170611754

IUPAC2-[6-[(Z)-1-bromopent-2-en-2-yl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol
SMILESCC/C=C(\CBr)c1cc(C(C)(C)O)c(F)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H20BrF2NO/c1-4-5-13(11-20)16-10-15(19(2,3)24)17(22)18(23-16)12-6-8-14(21)9-7-12/h5-10,24H,4,11H2,1-3H3/b13-5+
InChIKeySCEIGPQITQSLBG-WLRTZDKTSA-N
MW396.28 g/mol
LogP5.44
Rot. Bonds5

About 2-[6-[(Z)-1-bromopent-2-en-2-yl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol

2-[6-[(Z)-1-bromopent-2-en-2-yl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol (PubChem CID 170611754) has the molecular formula C19H20BrF2NO and a molecular weight of 396.28 g/mol. Its IUPAC name is 2-[6-[(Z)-1-bromopent-2-en-2-yl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[(Z)-1-bromopent-2-en-2-yl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol
PubChem CID170611754
Molecular FormulaC19H20BrF2NO
Molecular Weight396.28 g/mol
Exact Mass395.07
IUPAC Name2-[6-[(Z)-1-bromopent-2-en-2-yl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol
SMILESCC/C=C(\CBr)c1cc(C(C)(C)O)c(F)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H20BrF2NO/c1-4-5-13(11-20)16-10-15(19(2,3)24)17(22)18(23-16)12-6-8-14(21)9-7-12/h5-10,24H,4,11H2,1-3H3/b13-5+
InChIKeySCEIGPQITQSLBG-WLRTZDKTSA-N
XLogP5.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.28
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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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
2,6-Diisopropyl-3-hydroxymethyl-4-(3,4-difluorophenyl)-5-pentyl-pyridine
CID 22005341
2-(6,7,8,9-Tetrahydro-5H-cyclohepta[b]pyrid-2-yl)-1-(4-methylphenyl)ethanol
CID 10039384
1-(4-methylphenyl)-1-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol
CID 10402261
[4-(2,4-Difluoro-phenyl)-2,6-diisopropyl-5-pentyl-pyridin-3-yl]-methanol
CID 20647512
2-(6-Bromo-pyridin-2-yl)-1-phenyl-propan-2-ol
CID 11673721
4-[6-(Trifluoromethyl)-2-pyridinyl]benzenemethanol
CID 50972993
2-[6-[2,2-Bis(4-fluorophenyl)-2-hydroxyethyl]-2-pyridinyl]-1,1-bis(4-fluorophenyl)ethanol
CID 102372871
(2R)-1-fluoro-2-phenyl-4-pyridin-2-ylbutan-2-ol
CID 138963723
2-(6-Methyl-2-pyridinyl)-1-phenylethanol
CID 20444197
3-[6-Methyl-4-(trifluoromethyl)pyridin-2-yl]phenol
CID 56715272

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(Z)-1-bromopent-2-en-2-yl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[(Z)-1-bromopent-2-en-2-yl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol (CID 170611754) is 2-[6-[(Z)-1-bromopent-2-en-2-yl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[(Z)-1-bromopent-2-en-2-yl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[(Z)-1-bromopent-2-en-2-yl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol is CC/C=C(\CBr)c1cc(C(C)(C)O)c(F)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[6-[(Z)-1-bromopent-2-en-2-yl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol?
The InChIKey is SCEIGPQITQSLBG-WLRTZDKTSA-N. The full InChI is InChI=1S/C19H20BrF2NO/c1-4-5-13(11-20)16-10-15(19(2,3)24)17(22)18(23-16)12-6-8-14(21)9-7-12/h5-10,24H,4,11H2,1-3H3/b13-5+.
What are the key properties of 2-[6-[(Z)-1-bromopent-2-en-2-yl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol?
2-[6-[(Z)-1-bromopent-2-en-2-yl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol has a molecular weight of 396.28 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(Z)-1-bromopent-2-en-2-yl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol is sourced from PubChem (CID 170611754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).