1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol

C15H15F2NO — CID 105081155

IUPAC1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol
SMILESOC(CCc1cccnc1)Cc1cc(F)ccc1F
InChIInChI=1S/C15H15F2NO/c16-13-4-6-15(17)12(8-13)9-14(19)5-3-11-2-1-7-18-10-11/h1-2,4,6-8,10,14,19H,3,5,9H2
InChIKeyKUWSTXGEDXCJDV-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.90
Rot. Bonds5

About 1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol

1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol (PubChem CID 105081155) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol
PubChem CID105081155
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol
SMILESOC(CCc1cccnc1)Cc1cc(F)ccc1F
InChIInChI=1S/C15H15F2NO/c16-13-4-6-15(17)12(8-13)9-14(19)5-3-11-2-1-7-18-10-11/h1-2,4,6-8,10,14,19H,3,5,9H2
InChIKeyKUWSTXGEDXCJDV-UHFFFAOYSA-N
XLogP2.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105105357
1-(2,5-difluorophenyl)-3-pyridin-3-ylpropan-1-ol
CID 105094895
1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol
CID 105076712
1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol
CID 62608464
N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine
CID 60913065
1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol
CID 106868066
1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol
CID 103053358
1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62553243
1-(5-fluoro-2-methylphenyl)-4-pyridin-4-ylbutan-2-ol
CID 105377685
4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 105091191
1-(2-chloro-5-fluorophenyl)-4-pyridin-4-ylbutan-2-ol
CID 102623110
1-(5-bromo-2-fluorophenyl)-4-phenylbutan-2-ol
CID 55095424

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol?
The IUPAC name of 1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol (CID 105081155) is 1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol?
The canonical SMILES for 1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol is OC(CCc1cccnc1)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol?
The InChIKey is KUWSTXGEDXCJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c16-13-4-6-15(17)12(8-13)9-14(19)5-3-11-2-1-7-18-10-11/h1-2,4,6-8,10,14,19H,3,5,9H2.
What are the key properties of 1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol?
1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol has a molecular weight of 263.29 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol is sourced from PubChem (CID 105081155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).