2,6-difluoro-4-(4-phenyl-3-pyridinyl)phenol

C17H11F2NO — CID 122186015

IUPAC2,6-difluoro-4-(4-phenyl-3-pyridinyl)phenol
SMILESOc1c(F)cc(-c2cnccc2-c2ccccc2)cc1F
InChIInChI=1S/C17H11F2NO/c18-15-8-12(9-16(19)17(15)21)14-10-20-7-6-13(14)11-4-2-1-3-5-11/h1-10,21H
InChIKeyWQBTWNKSFDRALJ-UHFFFAOYSA-N
MW283.28 g/mol
LogP4.40
Rot. Bonds2

About 2,6-difluoro-4-(4-phenyl-3-pyridinyl)phenol

2,6-difluoro-4-(4-phenyl-3-pyridinyl)phenol (PubChem CID 122186015) has the molecular formula C17H11F2NO and a molecular weight of 283.28 g/mol. Its IUPAC name is 2,6-difluoro-4-(4-phenyl-3-pyridinyl)phenol.

Molecular Properties

Compound Name2,6-difluoro-4-(4-phenyl-3-pyridinyl)phenol
PubChem CID122186015
Molecular FormulaC17H11F2NO
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name2,6-difluoro-4-(4-phenyl-3-pyridinyl)phenol
SMILESOc1c(F)cc(-c2cnccc2-c2ccccc2)cc1F
InChIInChI=1S/C17H11F2NO/c18-15-8-12(9-16(19)17(15)21)14-10-20-7-6-13(14)11-4-2-1-3-5-11/h1-10,21H
InChIKeyWQBTWNKSFDRALJ-UHFFFAOYSA-N
XLogP4.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5243
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CID 22001174
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CID 199758
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CID 74177
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CID 223294
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CID 11514074
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CID 11551123
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CID 25033652
CID 25033652

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-(4-phenyl-3-pyridinyl)phenol?
The IUPAC name of 2,6-difluoro-4-(4-phenyl-3-pyridinyl)phenol (CID 122186015) is 2,6-difluoro-4-(4-phenyl-3-pyridinyl)phenol.
What is the SMILES notation for 2,6-difluoro-4-(4-phenyl-3-pyridinyl)phenol?
The canonical SMILES for 2,6-difluoro-4-(4-phenyl-3-pyridinyl)phenol is Oc1c(F)cc(-c2cnccc2-c2ccccc2)cc1F.
What is the InChIKey of 2,6-difluoro-4-(4-phenyl-3-pyridinyl)phenol?
The InChIKey is WQBTWNKSFDRALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO/c18-15-8-12(9-16(19)17(15)21)14-10-20-7-6-13(14)11-4-2-1-3-5-11/h1-10,21H.
What are the key properties of 2,6-difluoro-4-(4-phenyl-3-pyridinyl)phenol?
2,6-difluoro-4-(4-phenyl-3-pyridinyl)phenol has a molecular weight of 283.28 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(4-phenyl-3-pyridinyl)phenol is sourced from PubChem (CID 122186015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).