6-fluoro-N-(2-methyloxan-4-yl)pyridin-3-amine

C11H15FN2O — CID 103946830

IUPAC6-fluoro-N-(2-methyloxan-4-yl)pyridin-3-amine
SMILESCC1CC(Nc2ccc(F)nc2)CCO1
InChIInChI=1S/C11H15FN2O/c1-8-6-9(4-5-15-8)14-10-2-3-11(12)13-7-10/h2-3,7-9,14H,4-6H2,1H3
InChIKeyWKDKGXWSXPBHPD-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.20
Rot. Bonds2

About 6-fluoro-N-(2-methyloxan-4-yl)pyridin-3-amine

6-fluoro-N-(2-methyloxan-4-yl)pyridin-3-amine (PubChem CID 103946830) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 6-fluoro-N-(2-methyloxan-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-fluoro-N-(2-methyloxan-4-yl)pyridin-3-amine
PubChem CID103946830
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name6-fluoro-N-(2-methyloxan-4-yl)pyridin-3-amine
SMILESCC1CC(Nc2ccc(F)nc2)CCO1
InChIInChI=1S/C11H15FN2O/c1-8-6-9(4-5-15-8)14-10-2-3-11(12)13-7-10/h2-3,7-9,14H,4-6H2,1H3
InChIKeyWKDKGXWSXPBHPD-UHFFFAOYSA-N
XLogP2.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-fluoro-N-(2-methyloxan-4-yl)pyridin-3-amine?
The IUPAC name of 6-fluoro-N-(2-methyloxan-4-yl)pyridin-3-amine (CID 103946830) is 6-fluoro-N-(2-methyloxan-4-yl)pyridin-3-amine.
What is the SMILES notation for 6-fluoro-N-(2-methyloxan-4-yl)pyridin-3-amine?
The canonical SMILES for 6-fluoro-N-(2-methyloxan-4-yl)pyridin-3-amine is CC1CC(Nc2ccc(F)nc2)CCO1.
What is the InChIKey of 6-fluoro-N-(2-methyloxan-4-yl)pyridin-3-amine?
The InChIKey is WKDKGXWSXPBHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-8-6-9(4-5-15-8)14-10-2-3-11(12)13-7-10/h2-3,7-9,14H,4-6H2,1H3.
What are the key properties of 6-fluoro-N-(2-methyloxan-4-yl)pyridin-3-amine?
6-fluoro-N-(2-methyloxan-4-yl)pyridin-3-amine has a molecular weight of 210.25 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-methyloxan-4-yl)pyridin-3-amine is sourced from PubChem (CID 103946830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).