4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-fluoro-N-methoxypyridin-3-amine

C11H15FN2O4 — CID 162687373

IUPAC4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-fluoro-N-methoxypyridin-3-amine
SMILESCONc1cnc(F)cc1OC[C@H]1COCCO1
InChIInChI=1S/C11H15FN2O4/c1-15-14-9-5-13-11(12)4-10(9)18-7-8-6-16-2-3-17-8/h4-5,8,14H,2-3,6-7H2,1H3/t8-/m1/s1
InChIKeyAHUMENXVOLXLAJ-MRVPVSSYSA-N
MW258.25 g/mol
LogP0.99
Rot. Bonds5

About 4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-fluoro-N-methoxypyridin-3-amine

4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-fluoro-N-methoxypyridin-3-amine (PubChem CID 162687373) has the molecular formula C11H15FN2O4 and a molecular weight of 258.25 g/mol. Its IUPAC name is 4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-fluoro-N-methoxypyridin-3-amine.

Molecular Properties

Compound Name4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-fluoro-N-methoxypyridin-3-amine
PubChem CID162687373
Molecular FormulaC11H15FN2O4
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Name4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-fluoro-N-methoxypyridin-3-amine
SMILESCONc1cnc(F)cc1OC[C@H]1COCCO1
InChIInChI=1S/C11H15FN2O4/c1-15-14-9-5-13-11(12)4-10(9)18-7-8-6-16-2-3-17-8/h4-5,8,14H,2-3,6-7H2,1H3/t8-/m1/s1
InChIKeyAHUMENXVOLXLAJ-MRVPVSSYSA-N
XLogP0.99
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(1,4-dioxan-2-ylmethoxy)-4-methylpyridine
CID 175366959
2-(1,4-dioxan-2-ylmethoxy)-6-fluorobenzonitrile
CID 136542710
1-amino-1-[2-(1,4-dioxan-2-ylmethoxy)-4-fluorophenyl]-3-methylurea
CID 144641252
2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 102286855
2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-methoxypyridine
CID 164856462
7-[[(2R)-1,4-dioxan-2-yl]methoxy]-5-fluoro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine
CID 175883661
1-N-(1,4-dioxan-2-ylmethyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63598879
4-(1,4-dioxan-2-ylmethoxy)-1,6-dimethylpyrimidin-2-one
CID 164856478
N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-methoxypyrimidine-2-carboxamide
CID 164640711
4-(2-chloro-3-fluoro-5-methoxy-4-pyridinyl)-N-[5-[[(2S)-1,4-dioxan-2-yl]methoxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 167102993
5-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluoropyridin-2-amine
CID 104923956
2-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-4,4,5-trimethyl-1,3,2-dioxaborolane
CID 140793635

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-fluoro-N-methoxypyridin-3-amine?
The IUPAC name of 4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-fluoro-N-methoxypyridin-3-amine (CID 162687373) is 4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-fluoro-N-methoxypyridin-3-amine.
What is the SMILES notation for 4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-fluoro-N-methoxypyridin-3-amine?
The canonical SMILES for 4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-fluoro-N-methoxypyridin-3-amine is CONc1cnc(F)cc1OC[C@H]1COCCO1.
What is the InChIKey of 4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-fluoro-N-methoxypyridin-3-amine?
The InChIKey is AHUMENXVOLXLAJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15FN2O4/c1-15-14-9-5-13-11(12)4-10(9)18-7-8-6-16-2-3-17-8/h4-5,8,14H,2-3,6-7H2,1H3/t8-/m1/s1.
What are the key properties of 4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-fluoro-N-methoxypyridin-3-amine?
4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-fluoro-N-methoxypyridin-3-amine has a molecular weight of 258.25 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-fluoro-N-methoxypyridin-3-amine is sourced from PubChem (CID 162687373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).