3-[(3,5-difluoro-2-pyridinyl)oxy]-2-methylphenol

C12H9F2NO2 — CID 112676280

IUPAC3-[(3,5-difluoro-2-pyridinyl)oxy]-2-methylphenol
SMILESCc1c(O)cccc1Oc1ncc(F)cc1F
InChIInChI=1S/C12H9F2NO2/c1-7-10(16)3-2-4-11(7)17-12-9(14)5-8(13)6-15-12/h2-6,16H,1H3
InChIKeyTXTHWKACDIGYSI-UHFFFAOYSA-N
MW237.21 g/mol
LogP3.17
Rot. Bonds2

About 3-[(3,5-difluoro-2-pyridinyl)oxy]-2-methylphenol

3-[(3,5-difluoro-2-pyridinyl)oxy]-2-methylphenol (PubChem CID 112676280) has the molecular formula C12H9F2NO2 and a molecular weight of 237.21 g/mol. Its IUPAC name is 3-[(3,5-difluoro-2-pyridinyl)oxy]-2-methylphenol.

Molecular Properties

Compound Name3-[(3,5-difluoro-2-pyridinyl)oxy]-2-methylphenol
PubChem CID112676280
Molecular FormulaC12H9F2NO2
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name3-[(3,5-difluoro-2-pyridinyl)oxy]-2-methylphenol
SMILESCc1c(O)cccc1Oc1ncc(F)cc1F
InChIInChI=1S/C12H9F2NO2/c1-7-10(16)3-2-4-11(7)17-12-9(14)5-8(13)6-15-12/h2-6,16H,1H3
InChIKeyTXTHWKACDIGYSI-UHFFFAOYSA-N
XLogP3.17
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluoro-2-pyridinyl)oxy]-2-methylphenol?
The IUPAC name of 3-[(3,5-difluoro-2-pyridinyl)oxy]-2-methylphenol (CID 112676280) is 3-[(3,5-difluoro-2-pyridinyl)oxy]-2-methylphenol.
What is the SMILES notation for 3-[(3,5-difluoro-2-pyridinyl)oxy]-2-methylphenol?
The canonical SMILES for 3-[(3,5-difluoro-2-pyridinyl)oxy]-2-methylphenol is Cc1c(O)cccc1Oc1ncc(F)cc1F.
What is the InChIKey of 3-[(3,5-difluoro-2-pyridinyl)oxy]-2-methylphenol?
The InChIKey is TXTHWKACDIGYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO2/c1-7-10(16)3-2-4-11(7)17-12-9(14)5-8(13)6-15-12/h2-6,16H,1H3.
What are the key properties of 3-[(3,5-difluoro-2-pyridinyl)oxy]-2-methylphenol?
3-[(3,5-difluoro-2-pyridinyl)oxy]-2-methylphenol has a molecular weight of 237.21 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluoro-2-pyridinyl)oxy]-2-methylphenol is sourced from PubChem (CID 112676280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).