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

C17H11F2NO2 — CID 137125250

IUPAC2,6-difluoro-4-[4-(4-hydroxyphenyl)-3-pyridinyl]phenol
SMILESOc1ccc(-c2ccncc2-c2cc(F)c(O)c(F)c2)cc1
InChIInChI=1S/C17H11F2NO2/c18-15-7-11(8-16(19)17(15)22)14-9-20-6-5-13(14)10-1-3-12(21)4-2-10/h1-9,21-22H
InChIKeyVTDTXABIZXUXME-UHFFFAOYSA-N
MW299.28 g/mol
LogP4.11
Rot. Bonds2

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

2,6-difluoro-4-[4-(4-hydroxyphenyl)-3-pyridinyl]phenol (PubChem CID 137125250) has the molecular formula C17H11F2NO2 and a molecular weight of 299.28 g/mol. Its IUPAC name is 2,6-difluoro-4-[4-(4-hydroxyphenyl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[4-(4-hydroxyphenyl)-3-pyridinyl]phenol
PubChem CID137125250
Molecular FormulaC17H11F2NO2
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Name2,6-difluoro-4-[4-(4-hydroxyphenyl)-3-pyridinyl]phenol
SMILESOc1ccc(-c2ccncc2-c2cc(F)c(O)c(F)c2)cc1
InChIInChI=1S/C17H11F2NO2/c18-15-7-11(8-16(19)17(15)22)14-9-20-6-5-13(14)10-1-3-12(21)4-2-10/h1-9,21-22H
InChIKeyVTDTXABIZXUXME-UHFFFAOYSA-N
XLogP4.11
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 68654
SR2211
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CID 796726
NoName_714
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Picosulfuric acid
CID 5243
US9682910, 4-(Pyridin-3yl)benzene-1,3-diol (3)
CID 22001174
Cyprolidol
CID 199758
alpha,alpha-Diphenyl-4-pyridinemethanol
CID 74177
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CID 11514074
5-(1,1-Dimethyl-heptyl)-2-pyridin-3-yl-phenol
CID 11551123
4-[5-(Pyridin-4-yl)-7,8-dihydronaphthalen-2-yl]benzene-1,2-diol
CID 25033660

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[4-(4-hydroxyphenyl)-3-pyridinyl]phenol?
The IUPAC name of 2,6-difluoro-4-[4-(4-hydroxyphenyl)-3-pyridinyl]phenol (CID 137125250) is 2,6-difluoro-4-[4-(4-hydroxyphenyl)-3-pyridinyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[4-(4-hydroxyphenyl)-3-pyridinyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[4-(4-hydroxyphenyl)-3-pyridinyl]phenol is Oc1ccc(-c2ccncc2-c2cc(F)c(O)c(F)c2)cc1.
What is the InChIKey of 2,6-difluoro-4-[4-(4-hydroxyphenyl)-3-pyridinyl]phenol?
The InChIKey is VTDTXABIZXUXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO2/c18-15-7-11(8-16(19)17(15)22)14-9-20-6-5-13(14)10-1-3-12(21)4-2-10/h1-9,21-22H.
What are the key properties of 2,6-difluoro-4-[4-(4-hydroxyphenyl)-3-pyridinyl]phenol?
2,6-difluoro-4-[4-(4-hydroxyphenyl)-3-pyridinyl]phenol has a molecular weight of 299.28 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[4-(4-hydroxyphenyl)-3-pyridinyl]phenol is sourced from PubChem (CID 137125250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).