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

C6H9FN2 — CID 177006222

IUPAC6-fluoro-N-methyl-1,2-dihydropyridin-2-amine
SMILESCNC1C=CC=C(F)N1
InChIInChI=1S/C6H9FN2/c1-8-6-4-2-3-5(7)9-6/h2-4,6,8-9H,1H3
InChIKeyORQLRBLNDBXISZ-UHFFFAOYSA-N
MW128.15 g/mol
LogP0.50
Rot. Bonds1

About 6-fluoro-N-methyl-1,2-dihydropyridin-2-amine

6-fluoro-N-methyl-1,2-dihydropyridin-2-amine (PubChem CID 177006222) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is 6-fluoro-N-methyl-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-1,2-dihydropyridin-2-amine
PubChem CID177006222
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name6-fluoro-N-methyl-1,2-dihydropyridin-2-amine
SMILESCNC1C=CC=C(F)N1
InChIInChI=1S/C6H9FN2/c1-8-6-4-2-3-5(7)9-6/h2-4,6,8-9H,1H3
InChIKeyORQLRBLNDBXISZ-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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Related Compounds

Dihydropyridine amine
CID 17802280
2,2-Diaminopyridine
CID 70517398
6-Fluoro-1,2-dihydropyridine
CID 21892438
2-fluoro-1H-pyridin-2-amine
CID 67907921
3-Fluoro-1,2-dihydropyridin-6-amine
CID 89751645
3-Fluoro-1,2-dihydropyridin-2-amine
CID 122497259
6-Fluoro-1,2-dihydropyridin-2-amine
CID 129172183
3-fluoro-1-prop-1-enyl-2H-pyridin-2-amine
CID 141446633
6-fluoro-1-methyl-2H-pyridin-2-amine
CID 144183773
5-fluoro-1-methyl-2H-pyridin-2-amine
CID 145309583
5-fluoro-1H-pyridine-2,2-diamine
CID 153871370
6-fluoro-N-propan-2-yl-1,2-dihydropyridin-2-amine
CID 168081085

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-1,2-dihydropyridin-2-amine?
The IUPAC name of 6-fluoro-N-methyl-1,2-dihydropyridin-2-amine (CID 177006222) is 6-fluoro-N-methyl-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-methyl-1,2-dihydropyridin-2-amine?
The canonical SMILES for 6-fluoro-N-methyl-1,2-dihydropyridin-2-amine is CNC1C=CC=C(F)N1.
What is the InChIKey of 6-fluoro-N-methyl-1,2-dihydropyridin-2-amine?
The InChIKey is ORQLRBLNDBXISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c1-8-6-4-2-3-5(7)9-6/h2-4,6,8-9H,1H3.
What are the key properties of 6-fluoro-N-methyl-1,2-dihydropyridin-2-amine?
6-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 6-fluoro-N-methyl-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 177006222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).