5-bromo-3-fluoro-1,2-dihydropyridin-2-amine

C5H6BrFN2 — CID 122497258

IUPAC5-bromo-3-fluoro-1,2-dihydropyridin-2-amine
SMILESNC1NC=C(Br)C=C1F
InChIInChI=1S/C5H6BrFN2/c6-3-1-4(7)5(8)9-2-3/h1-2,5,9H,8H2
InChIKeyJMUYOGKVHXWTBQ-UHFFFAOYSA-N
MW193.02 g/mol
LogP0.96
Rot. Bonds

About 5-bromo-3-fluoro-1,2-dihydropyridin-2-amine

5-bromo-3-fluoro-1,2-dihydropyridin-2-amine (PubChem CID 122497258) has the molecular formula C5H6BrFN2 and a molecular weight of 193.02 g/mol. Its IUPAC name is 5-bromo-3-fluoro-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-fluoro-1,2-dihydropyridin-2-amine
PubChem CID122497258
Molecular FormulaC5H6BrFN2
Molecular Weight193.02 g/mol
Exact Mass191.97
IUPAC Name5-bromo-3-fluoro-1,2-dihydropyridin-2-amine
SMILESNC1NC=C(Br)C=C1F
InChIInChI=1S/C5H6BrFN2/c6-3-1-4(7)5(8)9-2-3/h1-2,5,9H,8H2
InChIKeyJMUYOGKVHXWTBQ-UHFFFAOYSA-N
XLogP0.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.02
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-bromo-3-fluoro-1,2-dihydropyridin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

3,5,6-Trifluoro-1,2-dihydropyridin-2-amine
CID 18367513
5-Bromo-2-fluoro-1,2-dihydropyridine
CID 23120570
3-Bromo-2-fluoro-1,2-dihydropyridine
CID 89129409
3-Fluoro-1,2-dihydropyridin-2-amine
CID 122497259
3-Bromo-6-fluoro-1,2-dihydropyridine
CID 126729724
5-Bromo-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine
CID 131970554
2-(Aminodiazenyl)-5-bromo-3-fluoro-1,2-dihydropyridine
CID 131970569
4-Bromo-5-fluoro-1,2-dihydropyridine
CID 141279718
3-Bromo-5-fluoro-1,2-dihydropyridine
CID 147602088
3-Bromo-5,6-difluoro-1,2-dihydropyridine
CID 156033067
6-Bromo-3-fluoro-1,2-dihydropyridine
CID 173642787
3,5-Dibromo-1,2-dihydropyridine
CID 23221429

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-1,2-dihydropyridin-2-amine?
The IUPAC name of 5-bromo-3-fluoro-1,2-dihydropyridin-2-amine (CID 122497258) is 5-bromo-3-fluoro-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 5-bromo-3-fluoro-1,2-dihydropyridin-2-amine?
The canonical SMILES for 5-bromo-3-fluoro-1,2-dihydropyridin-2-amine is NC1NC=C(Br)C=C1F.
What is the InChIKey of 5-bromo-3-fluoro-1,2-dihydropyridin-2-amine?
The InChIKey is JMUYOGKVHXWTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrFN2/c6-3-1-4(7)5(8)9-2-3/h1-2,5,9H,8H2.
What are the key properties of 5-bromo-3-fluoro-1,2-dihydropyridin-2-amine?
5-bromo-3-fluoro-1,2-dihydropyridin-2-amine has a molecular weight of 193.02 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 122497258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).