5-fluoro-N-(3-methoxybutan-2-yl)pyridin-3-amine

C10H15FN2O — CID 130497123

IUPAC5-fluoro-N-(3-methoxybutan-2-yl)pyridin-3-amine
SMILESCOC(C)C(C)Nc1cncc(F)c1
InChIInChI=1S/C10H15FN2O/c1-7(8(2)14-3)13-10-4-9(11)5-12-6-10/h4-8,13H,1-3H3
InChIKeyZMERQAHFOQSVLG-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.06
Rot. Bonds4

About 5-fluoro-N-(3-methoxybutan-2-yl)pyridin-3-amine

5-fluoro-N-(3-methoxybutan-2-yl)pyridin-3-amine (PubChem CID 130497123) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 5-fluoro-N-(3-methoxybutan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-fluoro-N-(3-methoxybutan-2-yl)pyridin-3-amine
PubChem CID130497123
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name5-fluoro-N-(3-methoxybutan-2-yl)pyridin-3-amine
SMILESCOC(C)C(C)Nc1cncc(F)c1
InChIInChI=1S/C10H15FN2O/c1-7(8(2)14-3)13-10-4-9(11)5-12-6-10/h4-8,13H,1-3H3
InChIKeyZMERQAHFOQSVLG-UHFFFAOYSA-N
XLogP2.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-N-(3-methoxybutan-2-yl)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-methoxybutan-2-yl)pyridin-3-amine?
The IUPAC name of 5-fluoro-N-(3-methoxybutan-2-yl)pyridin-3-amine (CID 130497123) is 5-fluoro-N-(3-methoxybutan-2-yl)pyridin-3-amine.
What is the SMILES notation for 5-fluoro-N-(3-methoxybutan-2-yl)pyridin-3-amine?
The canonical SMILES for 5-fluoro-N-(3-methoxybutan-2-yl)pyridin-3-amine is COC(C)C(C)Nc1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-(3-methoxybutan-2-yl)pyridin-3-amine?
The InChIKey is ZMERQAHFOQSVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-7(8(2)14-3)13-10-4-9(11)5-12-6-10/h4-8,13H,1-3H3.
What are the key properties of 5-fluoro-N-(3-methoxybutan-2-yl)pyridin-3-amine?
5-fluoro-N-(3-methoxybutan-2-yl)pyridin-3-amine has a molecular weight of 198.24 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-methoxybutan-2-yl)pyridin-3-amine is sourced from PubChem (CID 130497123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).