2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-amine

C11H15FN2O2 — CID 104764554

IUPAC2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-amine
SMILESCOC1(CNc2ccnc(F)c2)CCOC1
InChIInChI=1S/C11H15FN2O2/c1-15-11(3-5-16-8-11)7-14-9-2-4-13-10(12)6-9/h2,4,6H,3,5,7-8H2,1H3,(H,13,14)
InChIKeyCWXMHSMBFPYUNA-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.44
Rot. Bonds4

About 2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-amine

2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-amine (PubChem CID 104764554) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-amine
PubChem CID104764554
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-amine
SMILESCOC1(CNc2ccnc(F)c2)CCOC1
InChIInChI=1S/C11H15FN2O2/c1-15-11(3-5-16-8-11)7-14-9-2-4-13-10(12)6-9/h2,4,6H,3,5,7-8H2,1H3,(H,13,14)
InChIKeyCWXMHSMBFPYUNA-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-amine?
The IUPAC name of 2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-amine (CID 104764554) is 2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-amine?
The canonical SMILES for 2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-amine is COC1(CNc2ccnc(F)c2)CCOC1.
What is the InChIKey of 2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-amine?
The InChIKey is CWXMHSMBFPYUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-15-11(3-5-16-8-11)7-14-9-2-4-13-10(12)6-9/h2,4,6H,3,5,7-8H2,1H3,(H,13,14).
What are the key properties of 2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-amine?
2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-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 2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 104764554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).