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

C12H9F2NO2 — CID 107680983

IUPAC3-[(3,5-difluoro-2-pyridinyl)oxy]-5-methylphenol
SMILESCc1cc(O)cc(Oc2ncc(F)cc2F)c1
InChIInChI=1S/C12H9F2NO2/c1-7-2-9(16)5-10(3-7)17-12-11(14)4-8(13)6-15-12/h2-6,16H,1H3
InChIKeySCLRDMRCJKUYII-UHFFFAOYSA-N
MW237.20 g/mol
LogP3.17
Rot. Bonds2

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

3-[(3,5-difluoro-2-pyridinyl)oxy]-5-methylphenol (PubChem CID 107680983) has the molecular formula C12H9F2NO2 and a molecular weight of 237.20 g/mol. Its IUPAC name is 3-[(3,5-difluoro-2-pyridinyl)oxy]-5-methylphenol.

Molecular Properties

Compound Name3-[(3,5-difluoro-2-pyridinyl)oxy]-5-methylphenol
PubChem CID107680983
Molecular FormulaC12H9F2NO2
Molecular Weight237.20 g/mol
Exact Mass237.06
IUPAC Name3-[(3,5-difluoro-2-pyridinyl)oxy]-5-methylphenol
SMILESCc1cc(O)cc(Oc2ncc(F)cc2F)c1
InChIInChI=1S/C12H9F2NO2/c1-7-2-9(16)5-10(3-7)17-12-11(14)4-8(13)6-15-12/h2-6,16H,1H3
InChIKeySCLRDMRCJKUYII-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 ≤ 500237.20
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-difluoro-2-pyridinyl)oxy]phenol
CID 112676281
3-[(3,5-difluoro-2-pyridinyl)oxy]-2-methylphenol
CID 112676280
3-methyl-5-pyrimidin-2-yloxyphenol
CID 107680712
2-(4-bromo-3-fluorophenoxy)-3,5-difluoropyridine
CID 112675508
3-(5-bromopyrimidin-2-yl)oxy-5-methylphenol
CID 107680637
5-fluoro-3-methyl-2-(3-methylphenoxy)pyridine
CID 142991814
1-[5-fluoro-2-(3-methylphenoxy)-3-pyridinyl]ethanone
CID 142274107
3-[3-[(3-fluorophenyl)methoxy]-5-methylphenoxy]-5-methylphenol
CID 175589747
1-tert-butyl-3-(3-hydroxy-5-methylphenoxy)pyrazin-2-one
CID 107680512
3-methyl-5-(4-methylpyrimidin-2-yl)oxyphenol
CID 107680799
3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol
CID 107680779
4-(3,5-dimethylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80864146

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluoro-2-pyridinyl)oxy]-5-methylphenol?
The IUPAC name of 3-[(3,5-difluoro-2-pyridinyl)oxy]-5-methylphenol (CID 107680983) is 3-[(3,5-difluoro-2-pyridinyl)oxy]-5-methylphenol.
What is the SMILES notation for 3-[(3,5-difluoro-2-pyridinyl)oxy]-5-methylphenol?
The canonical SMILES for 3-[(3,5-difluoro-2-pyridinyl)oxy]-5-methylphenol is Cc1cc(O)cc(Oc2ncc(F)cc2F)c1.
What is the InChIKey of 3-[(3,5-difluoro-2-pyridinyl)oxy]-5-methylphenol?
The InChIKey is SCLRDMRCJKUYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO2/c1-7-2-9(16)5-10(3-7)17-12-11(14)4-8(13)6-15-12/h2-6,16H,1H3.
What are the key properties of 3-[(3,5-difluoro-2-pyridinyl)oxy]-5-methylphenol?
3-[(3,5-difluoro-2-pyridinyl)oxy]-5-methylphenol has a molecular weight of 237.20 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]-5-methylphenol is sourced from PubChem (CID 107680983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).