1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol

C14H13F2NO — CID 82919441

IUPAC1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
SMILESOC(Cc1ccncc1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H13F2NO/c15-13-2-1-11(9-14(13)16)8-12(18)7-10-3-5-17-6-4-10/h1-6,9,12,18H,7-8H2
InChIKeyKPUTUOGYIVCIAN-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.51
Rot. Bonds4

About 1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol

1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol (PubChem CID 82919441) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
PubChem CID82919441
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
SMILESOC(Cc1ccncc1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H13F2NO/c15-13-2-1-11(9-14(13)16)8-12(18)7-10-3-5-17-6-4-10/h1-6,9,12,18H,7-8H2
InChIKeyKPUTUOGYIVCIAN-UHFFFAOYSA-N
XLogP2.51
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-4-pyridin-4-ylbutan-2-ol
CID 105121810
1-(4-chloro-2-fluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 114854587
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888
1-(2,4-difluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920034
1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 106266424
2-(3,4-difluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol
CID 82919760
1-(3,4-difluorophenyl)pent-4-yn-2-ol
CID 115839997
1-(2,4-dichlorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920805
1-(3,4-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 82920814
1-(3,4-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
CID 115822218
1-(3,5-dichloro-2-pyridinyl)-2-(3,4-difluorophenyl)ethanol
CID 82920233
1-(3-chloro-2-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920732

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol (CID 82919441) is 1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol is OC(Cc1ccncc1)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol?
The InChIKey is KPUTUOGYIVCIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c15-13-2-1-11(9-14(13)16)8-12(18)7-10-3-5-17-6-4-10/h1-6,9,12,18H,7-8H2.
What are the key properties of 1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol?
1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol has a molecular weight of 249.26 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol is sourced from PubChem (CID 82919441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).