2,6-difluoro-4-[4-(oxan-4-yl)-3-pyridinyl]phenol

C16H15F2NO2 — CID 122186016

IUPAC2,6-difluoro-4-[4-(oxan-4-yl)-3-pyridinyl]phenol
SMILESOc1c(F)cc(-c2cnccc2C2CCOCC2)cc1F
InChIInChI=1S/C16H15F2NO2/c17-14-7-11(8-15(18)16(14)20)13-9-19-4-1-12(13)10-2-5-21-6-3-10/h1,4,7-10,20H,2-3,5-6H2
InChIKeyVACMZWAHKWHHMN-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.63
Rot. Bonds2

About 2,6-difluoro-4-[4-(oxan-4-yl)-3-pyridinyl]phenol

2,6-difluoro-4-[4-(oxan-4-yl)-3-pyridinyl]phenol (PubChem CID 122186016) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2,6-difluoro-4-[4-(oxan-4-yl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[4-(oxan-4-yl)-3-pyridinyl]phenol
PubChem CID122186016
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2,6-difluoro-4-[4-(oxan-4-yl)-3-pyridinyl]phenol
SMILESOc1c(F)cc(-c2cnccc2C2CCOCC2)cc1F
InChIInChI=1S/C16H15F2NO2/c17-14-7-11(8-15(18)16(14)20)13-9-19-4-1-12(13)10-2-5-21-6-3-10/h1,4,7-10,20H,2-3,5-6H2
InChIKeyVACMZWAHKWHHMN-UHFFFAOYSA-N
XLogP3.63
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
US9682910, 4-(Pyridin-3yl)benzene-1,3-diol (3)
CID 22001174
2-Fluoro-4-[5-(pyridin-4-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]phenol
CID 25033811
4''-(1-(Pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854448
4''-(2-Methyl-1-(pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854449
3-Fluoro-4''-(1-(pyridin-4-yl)propyl)biphenyl-4-ol
CID 46854606
4''-(Pyridin-4-ylmethyl)biphenyl-3-ol
CID 46901446
4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diol
CID 46901610
3-Fluoro-4''-(pyridin-4-ylmethyl)biphenyl-4-ol
CID 46901611
2,6-Difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl]phenol
CID 73010393
2,6-Difluoro-4-(4-(4-morpholinophenyl)pyridin-3-yl)phenol
CID 118704762
Pyridine, 4-[4,5-dihydroxyphenyl]-
CID 604349

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[4-(oxan-4-yl)-3-pyridinyl]phenol?
The IUPAC name of 2,6-difluoro-4-[4-(oxan-4-yl)-3-pyridinyl]phenol (CID 122186016) is 2,6-difluoro-4-[4-(oxan-4-yl)-3-pyridinyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[4-(oxan-4-yl)-3-pyridinyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[4-(oxan-4-yl)-3-pyridinyl]phenol is Oc1c(F)cc(-c2cnccc2C2CCOCC2)cc1F.
What is the InChIKey of 2,6-difluoro-4-[4-(oxan-4-yl)-3-pyridinyl]phenol?
The InChIKey is VACMZWAHKWHHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c17-14-7-11(8-15(18)16(14)20)13-9-19-4-1-12(13)10-2-5-21-6-3-10/h1,4,7-10,20H,2-3,5-6H2.
What are the key properties of 2,6-difluoro-4-[4-(oxan-4-yl)-3-pyridinyl]phenol?
2,6-difluoro-4-[4-(oxan-4-yl)-3-pyridinyl]phenol has a molecular weight of 291.30 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[4-(oxan-4-yl)-3-pyridinyl]phenol is sourced from PubChem (CID 122186016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).