2-[2-fluoro-6-(trideuteriomethoxy)-4-pyridinyl]phenol

C12H10FNO2 — CID 154598887

IUPAC2-[2-fluoro-6-(trideuteriomethoxy)-4-pyridinyl]phenol
SMILES[2H]C([2H])([2H])Oc1cc(-c2ccccc2O)cc(F)n1
InChIInChI=1S/C12H10FNO2/c1-16-12-7-8(6-11(13)14-12)9-4-2-3-5-10(9)15/h2-7,15H,1H3/i1D3
InChIKeyTWAAQJKRKYCDJE-FIBGUPNXSA-N
MW222.23 g/mol
LogP2.60
Rot. Bonds3

About 2-[2-fluoro-6-(trideuteriomethoxy)-4-pyridinyl]phenol

2-[2-fluoro-6-(trideuteriomethoxy)-4-pyridinyl]phenol (PubChem CID 154598887) has the molecular formula C12H10FNO2 and a molecular weight of 222.23 g/mol. Its IUPAC name is 2-[2-fluoro-6-(trideuteriomethoxy)-4-pyridinyl]phenol.

Molecular Properties

Compound Name2-[2-fluoro-6-(trideuteriomethoxy)-4-pyridinyl]phenol
PubChem CID154598887
Molecular FormulaC12H10FNO2
Molecular Weight222.23 g/mol
Exact Mass222.09
IUPAC Name2-[2-fluoro-6-(trideuteriomethoxy)-4-pyridinyl]phenol
SMILES[2H]C([2H])([2H])Oc1cc(-c2ccccc2O)cc(F)n1
InChIInChI=1S/C12H10FNO2/c1-16-12-7-8(6-11(13)14-12)9-4-2-3-5-10(9)15/h2-7,15H,1H3/i1D3
InChIKeyTWAAQJKRKYCDJE-FIBGUPNXSA-N
XLogP2.60
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[6-[cyclopropyl-[(1S,2R,3R,5R)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1,2,4-triazin-3-yl]-5-[2-fluoro-6-(trideuteriomethoxy)-4-pyridinyl]phenol
CID 166580824
5-fluoro-2-(2-hydroxyphenyl)phenol
CID 53218535
2-(2-fluoro-3-methoxyphenyl)phenol
CID 53218569
2-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol
CID 136593917
2-[4-(2-methoxyphenyl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]phenol
CID 154527419
2-(6-fluoro-2-pyridinyl)phenol
CID 136595488
4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-dimethoxyphenol
CID 143193670
2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol
CID 102334535
2-[4-[4-(2-hydroxyphenyl)phenyl]phenyl]phenol
CID 122655811
2-(4-methoxy-3-methylphenyl)phenol
CID 53218559
2-chloro-6-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine
CID 119004606
2-[3,5-difluoro-6-(2-hydroxyphenyl)pyrazin-2-yl]phenol
CID 140692175

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(trideuteriomethoxy)-4-pyridinyl]phenol?
The IUPAC name of 2-[2-fluoro-6-(trideuteriomethoxy)-4-pyridinyl]phenol (CID 154598887) is 2-[2-fluoro-6-(trideuteriomethoxy)-4-pyridinyl]phenol.
What is the SMILES notation for 2-[2-fluoro-6-(trideuteriomethoxy)-4-pyridinyl]phenol?
The canonical SMILES for 2-[2-fluoro-6-(trideuteriomethoxy)-4-pyridinyl]phenol is [2H]C([2H])([2H])Oc1cc(-c2ccccc2O)cc(F)n1.
What is the InChIKey of 2-[2-fluoro-6-(trideuteriomethoxy)-4-pyridinyl]phenol?
The InChIKey is TWAAQJKRKYCDJE-FIBGUPNXSA-N. The full InChI is InChI=1S/C12H10FNO2/c1-16-12-7-8(6-11(13)14-12)9-4-2-3-5-10(9)15/h2-7,15H,1H3/i1D3.
What are the key properties of 2-[2-fluoro-6-(trideuteriomethoxy)-4-pyridinyl]phenol?
2-[2-fluoro-6-(trideuteriomethoxy)-4-pyridinyl]phenol has a molecular weight of 222.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-(trideuteriomethoxy)-4-pyridinyl]phenol is sourced from PubChem (CID 154598887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).