[2-fluoro-3-[5-fluoro-6-[3-(trideuteriomethoxyimino)azetidin-1-yl]-3-pyridinyl]phenyl]methanol

C16H15F2N3O2 — CID 134584914

IUPAC[2-fluoro-3-[5-fluoro-6-[3-(trideuteriomethoxyimino)azetidin-1-yl]-3-pyridinyl]phenyl]methanol
SMILES[2H]C([2H])([2H])ON=C1CN(c2ncc(-c3cccc(CO)c3F)cc2F)C1
InChIInChI=1S/C16H15F2N3O2/c1-23-20-12-7-21(8-12)16-14(17)5-11(6-19-16)13-4-2-3-10(9-22)15(13)18/h2-6,22H,7-9H2,1H3/i1D3
InChIKeyQFCSPAYECGBBKH-FIBGUPNXSA-N
MW322.33 g/mol
LogP2.34
Rot. Bonds5

About [2-fluoro-3-[5-fluoro-6-[3-(trideuteriomethoxyimino)azetidin-1-yl]-3-pyridinyl]phenyl]methanol

[2-fluoro-3-[5-fluoro-6-[3-(trideuteriomethoxyimino)azetidin-1-yl]-3-pyridinyl]phenyl]methanol (PubChem CID 134584914) has the molecular formula C16H15F2N3O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is [2-fluoro-3-[5-fluoro-6-[3-(trideuteriomethoxyimino)azetidin-1-yl]-3-pyridinyl]phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-3-[5-fluoro-6-[3-(trideuteriomethoxyimino)azetidin-1-yl]-3-pyridinyl]phenyl]methanol
PubChem CID134584914
Molecular FormulaC16H15F2N3O2
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name[2-fluoro-3-[5-fluoro-6-[3-(trideuteriomethoxyimino)azetidin-1-yl]-3-pyridinyl]phenyl]methanol
SMILES[2H]C([2H])([2H])ON=C1CN(c2ncc(-c3cccc(CO)c3F)cc2F)C1
InChIInChI=1S/C16H15F2N3O2/c1-23-20-12-7-21(8-12)16-14(17)5-11(6-19-16)13-4-2-3-10(9-22)15(13)18/h2-6,22H,7-9H2,1H3/i1D3
InChIKeyQFCSPAYECGBBKH-FIBGUPNXSA-N
XLogP2.34
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-[6-(azetidin-1-yl)-5-fluoro-3-pyridinyl]-2-fluorophenyl]methanol
CID 135200646
[2-fluoro-3-[5-fluoro-6-(3-methoxyiminoazetidin-1-yl)-3-pyridinyl]phenyl]methyl 3-amino-3-iminopropanoate
CID 160918446
[2-fluoro-3-[5-fluoro-6-(3-propoxyazetidin-1-yl)-3-pyridinyl]phenyl]methanol
CID 135200633
[2-fluoro-3-[2-(4-methoxyiminopiperidin-1-yl)pyrimidin-5-yl]phenyl]methanol
CID 126561988
[3-[6-[3-(1,3-dihydroxy-2-methylpropoxy)iminoazetidin-1-yl]-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl N-(diaminomethylidene)carbamate
CID 146027221
[3-[5-(difluoromethyl)-6-(3-methoxyiminoazetidin-1-yl)-3-pyridinyl]-2-fluorophenyl]methyl N-(diaminomethylidene)carbamate
CID 126564583
[3-[6-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxyimino]azetidin-1-yl]-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl carbamate
CID 175062904
[2-fluoro-3-[2-[3-(1-methylazetidin-3-yl)oxyiminoazetidin-1-yl]pyrimidin-5-yl]phenyl]methanol
CID 126562530
[3-[6-(3,3-dimethoxyazetidin-1-yl)-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl N-(diaminomethylidene)carbamate
CID 135200663
[3-[6-[3-[2-(2,2-dimethyl-1,3-dioxol-4-yl)ethoxyimino]azetidin-1-yl]-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl N-(diaminomethylidene)carbamate
CID 146032297
N-[2-(4,4-dimethylcyclohexyl)ethyl]-1-[3-fluoro-5-(2-fluoro-3-propylphenyl)-2-pyridinyl]azetidin-3-imine
CID 134591536
[3-[2-[3-[2-(3-ethylazetidin-1-yl)ethoxyimino]azetidin-1-yl]pyrimidin-5-yl]-2-fluorophenyl]methanol
CID 134591714

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-[5-fluoro-6-[3-(trideuteriomethoxyimino)azetidin-1-yl]-3-pyridinyl]phenyl]methanol?
The IUPAC name of [2-fluoro-3-[5-fluoro-6-[3-(trideuteriomethoxyimino)azetidin-1-yl]-3-pyridinyl]phenyl]methanol (CID 134584914) is [2-fluoro-3-[5-fluoro-6-[3-(trideuteriomethoxyimino)azetidin-1-yl]-3-pyridinyl]phenyl]methanol.
What is the SMILES notation for [2-fluoro-3-[5-fluoro-6-[3-(trideuteriomethoxyimino)azetidin-1-yl]-3-pyridinyl]phenyl]methanol?
The canonical SMILES for [2-fluoro-3-[5-fluoro-6-[3-(trideuteriomethoxyimino)azetidin-1-yl]-3-pyridinyl]phenyl]methanol is [2H]C([2H])([2H])ON=C1CN(c2ncc(-c3cccc(CO)c3F)cc2F)C1.
What is the InChIKey of [2-fluoro-3-[5-fluoro-6-[3-(trideuteriomethoxyimino)azetidin-1-yl]-3-pyridinyl]phenyl]methanol?
The InChIKey is QFCSPAYECGBBKH-FIBGUPNXSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c1-23-20-12-7-21(8-12)16-14(17)5-11(6-19-16)13-4-2-3-10(9-22)15(13)18/h2-6,22H,7-9H2,1H3/i1D3.
What are the key properties of [2-fluoro-3-[5-fluoro-6-[3-(trideuteriomethoxyimino)azetidin-1-yl]-3-pyridinyl]phenyl]methanol?
[2-fluoro-3-[5-fluoro-6-[3-(trideuteriomethoxyimino)azetidin-1-yl]-3-pyridinyl]phenyl]methanol has a molecular weight of 322.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-[5-fluoro-6-[3-(trideuteriomethoxyimino)azetidin-1-yl]-3-pyridinyl]phenyl]methanol is sourced from PubChem (CID 134584914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).