3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine

C11H13F3N2O2 — CID 114072689

IUPAC3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
SMILESCOC1(CNc2nc(F)c(F)cc2F)CCOC1
InChIInChI=1S/C11H13F3N2O2/c1-17-11(2-3-18-6-11)5-15-10-8(13)4-7(12)9(14)16-10/h4H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyNTOZSLAWYSSMNP-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.72
Rot. Bonds4

About 3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine

3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine (PubChem CID 114072689) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
PubChem CID114072689
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
SMILESCOC1(CNc2nc(F)c(F)cc2F)CCOC1
InChIInChI=1S/C11H13F3N2O2/c1-17-11(2-3-18-6-11)5-15-10-8(13)4-7(12)9(14)16-10/h4H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyNTOZSLAWYSSMNP-UHFFFAOYSA-N
XLogP1.72
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
CID 104705532
2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-amine
CID 104764554
2-[(3-methoxyoxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 104705673
3,5-difluoro-4-[(3-methoxyoxolan-3-yl)methylamino]benzenecarbothioamide
CID 104761871
3-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyridin-2-amine
CID 105367120
N-[(3-methoxyoxolan-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 104762650
N-[(3-methoxyoxolan-3-yl)methyl]-1-(3,4,5-trifluorophenyl)methanamine
CID 104705112
6-hydrazinyl-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-2,4-diamine
CID 104767560
6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine
CID 104767552
6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyridazin-4-amine
CID 114478239
3-fluoro-5-[(3-methoxyoxolan-3-yl)methylamino]benzoic acid
CID 167789164
6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102721097

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine (CID 114072689) is 3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine is COC1(CNc2nc(F)c(F)cc2F)CCOC1.
What is the InChIKey of 3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine?
The InChIKey is NTOZSLAWYSSMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-17-11(2-3-18-6-11)5-15-10-8(13)4-7(12)9(14)16-10/h4H,2-3,5-6H2,1H3,(H,15,16).
What are the key properties of 3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine?
3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine has a molecular weight of 262.23 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 114072689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).