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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,5-difluoro-2-pyridinyl)oxy]phenol
CID 112676281
3-[(3,5-difluoro-2-pyridinyl)oxy]-5-methylphenol
CID 107680983
2-amino-3-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenol
CID 114047343
8-[(3,5-difluoro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 112676286
2-methyl-3-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenol
CID 66280066
3-(5-chloropyrimidin-4-yl)oxy-2-methylphenol
CID 105370168
4-chloro-3-[(3,5-difluoro-2-pyridinyl)oxy]aniline
CID 112676066
2-methyl-3-(6-methylpyrimidin-4-yl)oxyphenol
CID 61224160
3-chloro-4-[(3,5-difluoro-2-pyridinyl)oxy]benzoic acid
CID 112676365
2-(3-hydroxy-2-methylphenoxy)-5-nitropyridine-3-carbonitrile
CID 62098865
[4-chloro-2-[(3,5-difluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 112676396
2-methyl-3-pyridin-4-yloxyphenol
CID 60871245

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).