2-fluoro-N-methyl-1,2-dihydropyridin-3-amine

C6H9FN2 — CID 173058061

IUPAC2-fluoro-N-methyl-1,2-dihydropyridin-3-amine
SMILESCNC1=CC=CNC1F
InChIInChI=1S/C6H9FN2/c1-8-5-3-2-4-9-6(5)7/h2-4,6,8-9H,1H3
InChIKeyFQWVCJBCPXGOJZ-UHFFFAOYSA-N
MW128.15 g/mol
LogP0.50
Rot. Bonds1

About 2-fluoro-N-methyl-1,2-dihydropyridin-3-amine

2-fluoro-N-methyl-1,2-dihydropyridin-3-amine (PubChem CID 173058061) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is 2-fluoro-N-methyl-1,2-dihydropyridin-3-amine.

Molecular Properties

Compound Name2-fluoro-N-methyl-1,2-dihydropyridin-3-amine
PubChem CID173058061
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name2-fluoro-N-methyl-1,2-dihydropyridin-3-amine
SMILESCNC1=CC=CNC1F
InChIInChI=1S/C6H9FN2/c1-8-5-3-2-4-9-6(5)7/h2-4,6,8-9H,1H3
InChIKeyFQWVCJBCPXGOJZ-UHFFFAOYSA-N
XLogP0.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-1,2-dihydropyridin-3-amine?
The IUPAC name of 2-fluoro-N-methyl-1,2-dihydropyridin-3-amine (CID 173058061) is 2-fluoro-N-methyl-1,2-dihydropyridin-3-amine.
What is the SMILES notation for 2-fluoro-N-methyl-1,2-dihydropyridin-3-amine?
The canonical SMILES for 2-fluoro-N-methyl-1,2-dihydropyridin-3-amine is CNC1=CC=CNC1F.
What is the InChIKey of 2-fluoro-N-methyl-1,2-dihydropyridin-3-amine?
The InChIKey is FQWVCJBCPXGOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c1-8-5-3-2-4-9-6(5)7/h2-4,6,8-9H,1H3.
What are the key properties of 2-fluoro-N-methyl-1,2-dihydropyridin-3-amine?
2-fluoro-N-methyl-1,2-dihydropyridin-3-amine has a molecular weight of 128.15 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-1,2-dihydropyridin-3-amine is sourced from PubChem (CID 173058061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).