1-(2,5-difluorophenyl)-3-pyridin-3-ylpropan-1-ol

C14H13F2NO — CID 105094895

IUPAC1-(2,5-difluorophenyl)-3-pyridin-3-ylpropan-1-ol
SMILESOC(CCc1cccnc1)c1cc(F)ccc1F
InChIInChI=1S/C14H13F2NO/c15-11-4-5-13(16)12(8-11)14(18)6-3-10-2-1-7-17-9-10/h1-2,4-5,7-9,14,18H,3,6H2
InChIKeyLDTRLZAKGRGORR-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.03
Rot. Bonds4

About 1-(2,5-difluorophenyl)-3-pyridin-3-ylpropan-1-ol

1-(2,5-difluorophenyl)-3-pyridin-3-ylpropan-1-ol (PubChem CID 105094895) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-pyridin-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-pyridin-3-ylpropan-1-ol
PubChem CID105094895
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name1-(2,5-difluorophenyl)-3-pyridin-3-ylpropan-1-ol
SMILESOC(CCc1cccnc1)c1cc(F)ccc1F
InChIInChI=1S/C14H13F2NO/c15-11-4-5-13(16)12(8-11)14(18)6-3-10-2-1-7-17-9-10/h1-2,4-5,7-9,14,18H,3,6H2
InChIKeyLDTRLZAKGRGORR-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-pyridin-3-ylpropan-1-ol
CID 105083957
1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol
CID 105081155
1-(5-chloro-2-methoxyphenyl)-3-pyridin-3-ylpropan-1-ol
CID 105092299
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 102710209
3-(4-fluorophenyl)-1-pyridin-3-ylpropan-1-ol
CID 19775361
1-(2,5-difluorophenyl)-2-phenylethanol
CID 61101479
3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 93182256
1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105105357
1-(2,5-difluorophenyl)-2-(3-pyridin-3-ylanilino)ethanol
CID 167854859
3-amino-1-(2,5-difluorophenyl)-2-pyridin-3-ylpropan-1-ol
CID 80523241
1-(2,4-dimethoxyphenyl)-3-pyridin-3-ylpropan-1-ol
CID 105096059

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-pyridin-3-ylpropan-1-ol?
The IUPAC name of 1-(2,5-difluorophenyl)-3-pyridin-3-ylpropan-1-ol (CID 105094895) is 1-(2,5-difluorophenyl)-3-pyridin-3-ylpropan-1-ol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-pyridin-3-ylpropan-1-ol?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-pyridin-3-ylpropan-1-ol is OC(CCc1cccnc1)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-pyridin-3-ylpropan-1-ol?
The InChIKey is LDTRLZAKGRGORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c15-11-4-5-13(16)12(8-11)14(18)6-3-10-2-1-7-17-9-10/h1-2,4-5,7-9,14,18H,3,6H2.
What are the key properties of 1-(2,5-difluorophenyl)-3-pyridin-3-ylpropan-1-ol?
1-(2,5-difluorophenyl)-3-pyridin-3-ylpropan-1-ol has a molecular weight of 249.26 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-pyridin-3-ylpropan-1-ol is sourced from PubChem (CID 105094895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).