3-fluoro-N-methyl-1,2-dihydropyridin-4-amine

C6H9FN2 — CID 144864686

IUPAC3-fluoro-N-methyl-1,2-dihydropyridin-4-amine
SMILESCNC1=C(F)CNC=C1
InChIInChI=1S/C6H9FN2/c1-8-6-2-3-9-4-5(6)7/h2-3,8-9H,4H2,1H3
InChIKeyXMGVMVOBWSPUDK-UHFFFAOYSA-N
MW128.15 g/mol
LogP0.50
Rot. Bonds1

About 3-fluoro-N-methyl-1,2-dihydropyridin-4-amine

3-fluoro-N-methyl-1,2-dihydropyridin-4-amine (PubChem CID 144864686) 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-4-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-1,2-dihydropyridin-4-amine
PubChem CID144864686
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name3-fluoro-N-methyl-1,2-dihydropyridin-4-amine
SMILESCNC1=C(F)CNC=C1
InChIInChI=1S/C6H9FN2/c1-8-6-2-3-9-4-5(6)7/h2-3,8-9H,4H2,1H3
InChIKeyXMGVMVOBWSPUDK-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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Related Compounds

1-Methyl-1,6-dihydropyridin-3-amine
CID 11840957
Dihydro 4-dimethylamino pyridine
CID 424917
3-Amino-dihydropyridine
CID 5245632
AC1O0S2S
CID 6100695
3-Aminoazepine
CID 18755303
4-Amino-1-methylpyridine
CID 19022584
2,4-Diaminodihydropyridin
CID 129629608
4-Fluoro-1,2-dihydropyridine
CID 18523056
2-Fluoro-1,2-dihydropyridine
CID 18619817
6-fluoro-1H-azepin-4-amine
CID 68716508
(1E,3Z)-2-fluorohexa-1,3,5-triene-1,5-diamine
CID 88874406
(1E,3Z)-5-fluorohexa-1,3,5-triene-1,2-diamine
CID 89025484

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-1,2-dihydropyridin-4-amine?
The IUPAC name of 3-fluoro-N-methyl-1,2-dihydropyridin-4-amine (CID 144864686) is 3-fluoro-N-methyl-1,2-dihydropyridin-4-amine.
What is the SMILES notation for 3-fluoro-N-methyl-1,2-dihydropyridin-4-amine?
The canonical SMILES for 3-fluoro-N-methyl-1,2-dihydropyridin-4-amine is CNC1=C(F)CNC=C1.
What is the InChIKey of 3-fluoro-N-methyl-1,2-dihydropyridin-4-amine?
The InChIKey is XMGVMVOBWSPUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c1-8-6-2-3-9-4-5(6)7/h2-3,8-9H,4H2,1H3.
What are the key properties of 3-fluoro-N-methyl-1,2-dihydropyridin-4-amine?
3-fluoro-N-methyl-1,2-dihydropyridin-4-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-4-amine is sourced from PubChem (CID 144864686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).