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

C6H9FN2 — CID 173058094

IUPAC3-fluoro-N-methyl-1,2-dihydropyridin-2-amine
SMILESCNC1NC=CC=C1F
InChIInChI=1S/C6H9FN2/c1-8-6-5(7)3-2-4-9-6/h2-4,6,8-9H,1H3
InChIKeySITZVIBYMYLMQF-UHFFFAOYSA-N
MW128.15 g/mol
LogP0.50
Rot. Bonds1

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

3-fluoro-N-methyl-1,2-dihydropyridin-2-amine (PubChem CID 173058094) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is 3-fluoro-N-methyl-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-1,2-dihydropyridin-2-amine
PubChem CID173058094
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name3-fluoro-N-methyl-1,2-dihydropyridin-2-amine
SMILESCNC1NC=CC=C1F
InChIInChI=1S/C6H9FN2/c1-8-6-5(7)3-2-4-9-6/h2-4,6,8-9H,1H3
InChIKeySITZVIBYMYLMQF-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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-1,2-dihydropyridin-2-amine?
The IUPAC name of 3-fluoro-N-methyl-1,2-dihydropyridin-2-amine (CID 173058094) is 3-fluoro-N-methyl-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-methyl-1,2-dihydropyridin-2-amine?
The canonical SMILES for 3-fluoro-N-methyl-1,2-dihydropyridin-2-amine is CNC1NC=CC=C1F.
What is the InChIKey of 3-fluoro-N-methyl-1,2-dihydropyridin-2-amine?
The InChIKey is SITZVIBYMYLMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c1-8-6-5(7)3-2-4-9-6/h2-4,6,8-9H,1H3.
What are the key properties of 3-fluoro-N-methyl-1,2-dihydropyridin-2-amine?
3-fluoro-N-methyl-1,2-dihydropyridin-2-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 3-fluoro-N-methyl-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 173058094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).