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

C18H20F2N2O2 — CID 135200633

IUPAC[2-fluoro-3-[5-fluoro-6-(3-propoxyazetidin-1-yl)-3-pyridinyl]phenyl]methanol
SMILESCCCOC1CN(c2ncc(-c3cccc(CO)c3F)cc2F)C1
InChIInChI=1S/C18H20F2N2O2/c1-2-6-24-14-9-22(10-14)18-16(19)7-13(8-21-18)15-5-3-4-12(11-23)17(15)20/h3-5,7-8,14,23H,2,6,9-11H2,1H3
InChIKeySSEDDIBZZAAXRM-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.13
Rot. Bonds6

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

[2-fluoro-3-[5-fluoro-6-(3-propoxyazetidin-1-yl)-3-pyridinyl]phenyl]methanol (PubChem CID 135200633) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is [2-fluoro-3-[5-fluoro-6-(3-propoxyazetidin-1-yl)-3-pyridinyl]phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-3-[5-fluoro-6-(3-propoxyazetidin-1-yl)-3-pyridinyl]phenyl]methanol
PubChem CID135200633
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name[2-fluoro-3-[5-fluoro-6-(3-propoxyazetidin-1-yl)-3-pyridinyl]phenyl]methanol
SMILESCCCOC1CN(c2ncc(-c3cccc(CO)c3F)cc2F)C1
InChIInChI=1S/C18H20F2N2O2/c1-2-6-24-14-9-22(10-14)18-16(19)7-13(8-21-18)15-5-3-4-12(11-23)17(15)20/h3-5,7-8,14,23H,2,6,9-11H2,1H3
InChIKeySSEDDIBZZAAXRM-UHFFFAOYSA-N
XLogP3.13
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(trideuteriomethoxyimino)azetidin-1-yl]-3-pyridinyl]phenyl]methanol
CID 134584914
[2-fluoro-3-[5-fluoro-6-[3-(hydroxymethyl)azetidin-1-yl]-3-pyridinyl]phenyl]methyl 3-amino-3-iminopropanoate
CID 160816987
[2-fluoro-3-[2-(4-propoxyiminopiperidin-1-yl)pyrimidin-5-yl]phenyl]methanol
CID 126562092
[2-fluoro-3-[2-[3-(1-methylazetidin-3-yl)oxyiminoazetidin-1-yl]pyrimidin-5-yl]phenyl]methanol
CID 126562530
[2-fluoro-3-[2-(4-methoxyiminopiperidin-1-yl)pyrimidin-5-yl]phenyl]methanol
CID 126561988
N-[2-(4,4-dimethylcyclohexyl)ethyl]-1-[3-fluoro-5-(2-fluoro-3-propylphenyl)-2-pyridinyl]azetidin-3-imine
CID 134591536
[3-[6-(3,3-dimethoxyazetidin-1-yl)-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl N-(diaminomethylidene)carbamate
CID 135200663
2-[1-[5-[2-fluoro-3-(hydroxymethyl)phenyl]pyrimidin-2-yl]piperidin-4-yl]oxyacetic acid
CID 121258785
[3-[2-[3-[2-(3-ethylazetidin-1-yl)ethoxyimino]azetidin-1-yl]pyrimidin-5-yl]-2-fluorophenyl]methanol
CID 134591714
[5-[6-(3-butoxyazetidin-1-yl)-5-fluoro-3-pyridinyl]-6-fluorocyclohexa-1,5-dien-3-yn-1-yl]methyl N-(diaminomethylidene)carbamate
CID 166966506
[3-[2-(4-ethoxyiminopiperidin-1-yl)pyrimidin-5-yl]-2-fluorophenyl]methanol
CID 126564839

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-[5-fluoro-6-(3-propoxyazetidin-1-yl)-3-pyridinyl]phenyl]methanol?
The IUPAC name of [2-fluoro-3-[5-fluoro-6-(3-propoxyazetidin-1-yl)-3-pyridinyl]phenyl]methanol (CID 135200633) is [2-fluoro-3-[5-fluoro-6-(3-propoxyazetidin-1-yl)-3-pyridinyl]phenyl]methanol.
What is the SMILES notation for [2-fluoro-3-[5-fluoro-6-(3-propoxyazetidin-1-yl)-3-pyridinyl]phenyl]methanol?
The canonical SMILES for [2-fluoro-3-[5-fluoro-6-(3-propoxyazetidin-1-yl)-3-pyridinyl]phenyl]methanol is CCCOC1CN(c2ncc(-c3cccc(CO)c3F)cc2F)C1.
What is the InChIKey of [2-fluoro-3-[5-fluoro-6-(3-propoxyazetidin-1-yl)-3-pyridinyl]phenyl]methanol?
The InChIKey is SSEDDIBZZAAXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-2-6-24-14-9-22(10-14)18-16(19)7-13(8-21-18)15-5-3-4-12(11-23)17(15)20/h3-5,7-8,14,23H,2,6,9-11H2,1H3.
What are the key properties of [2-fluoro-3-[5-fluoro-6-(3-propoxyazetidin-1-yl)-3-pyridinyl]phenyl]methanol?
[2-fluoro-3-[5-fluoro-6-(3-propoxyazetidin-1-yl)-3-pyridinyl]phenyl]methanol has a molecular weight of 334.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-[5-fluoro-6-(3-propoxyazetidin-1-yl)-3-pyridinyl]phenyl]methanol is sourced from PubChem (CID 135200633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).