3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine

C11H15FN2O2 — CID 104705532

IUPAC3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
SMILESCOC1(CNc2ncccc2F)CCOC1
InChIInChI=1S/C11H15FN2O2/c1-15-11(4-6-16-8-11)7-14-10-9(12)3-2-5-13-10/h2-3,5H,4,6-8H2,1H3,(H,13,14)
InChIKeyVNFRXEYZWSVEFA-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.44
Rot. Bonds4

About 3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine

3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine (PubChem CID 104705532) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
PubChem CID104705532
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
SMILESCOC1(CNc2ncccc2F)CCOC1
InChIInChI=1S/C11H15FN2O2/c1-15-11(4-6-16-8-11)7-14-10-9(12)3-2-5-13-10/h2-3,5H,4,6-8H2,1H3,(H,13,14)
InChIKeyVNFRXEYZWSVEFA-UHFFFAOYSA-N
XLogP1.44
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl)morpholine
CID 2795363
4-(4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)morpholine
CID 21081661
3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine
CID 63712800
N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 2990775
N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 44410160
N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 2988986
N-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 2990685
Ethyl 2-[(5-fluoropyridin-2-yl)amino]acetate
CID 54594700
N-[(oxolan-3-yl)methyl]pyridin-2-amine
CID 60964730
5-fluoro-N-(oxan-4-yl)pyridin-2-amine
CID 52092806
(1s,3r)-3-[(3-Fluoropyridin-2-yl)amino]-1-methylcyclobutan-1-ol
CID 126794088
(3R)-3-ethyl-1-(5-fluoro-2-pyridinyl)pyrrolidin-3-ol
CID 129349204

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine (CID 104705532) is 3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine is COC1(CNc2ncccc2F)CCOC1.
What is the InChIKey of 3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine?
The InChIKey is VNFRXEYZWSVEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-15-11(4-6-16-8-11)7-14-10-9(12)3-2-5-13-10/h2-3,5H,4,6-8H2,1H3,(H,13,14).
What are the key properties of 3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine?
3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine has a molecular weight of 226.25 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 104705532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).