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

C5H7BrN2 — CID 90231794

IUPAC3-bromo-1,2-dihydropyridin-2-amine
SMILESNC1NC=CC=C1Br
InChIInChI=1S/C5H7BrN2/c6-4-2-1-3-8-5(4)7/h1-3,5,8H,7H2
InChIKeyHUIBEGYMAZOQHI-UHFFFAOYSA-N
MW175.03 g/mol
LogP0.67
Rot. Bonds

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

3-bromo-1,2-dihydropyridin-2-amine (PubChem CID 90231794) has the molecular formula C5H7BrN2 and a molecular weight of 175.03 g/mol. Its IUPAC name is 3-bromo-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name3-bromo-1,2-dihydropyridin-2-amine
PubChem CID90231794
Molecular FormulaC5H7BrN2
Molecular Weight175.03 g/mol
Exact Mass173.98
IUPAC Name3-bromo-1,2-dihydropyridin-2-amine
SMILESNC1NC=CC=C1Br
InChIInChI=1S/C5H7BrN2/c6-4-2-1-3-8-5(4)7/h1-3,5,8H,7H2
InChIKeyHUIBEGYMAZOQHI-UHFFFAOYSA-N
XLogP0.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.03
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,2-dihydropyridin-2-amine?
The IUPAC name of 3-bromo-1,2-dihydropyridin-2-amine (CID 90231794) is 3-bromo-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 3-bromo-1,2-dihydropyridin-2-amine?
The canonical SMILES for 3-bromo-1,2-dihydropyridin-2-amine is NC1NC=CC=C1Br.
What is the InChIKey of 3-bromo-1,2-dihydropyridin-2-amine?
The InChIKey is HUIBEGYMAZOQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2/c6-4-2-1-3-8-5(4)7/h1-3,5,8H,7H2.
What are the key properties of 3-bromo-1,2-dihydropyridin-2-amine?
3-bromo-1,2-dihydropyridin-2-amine has a molecular weight of 175.03 g/mol, XLogP of 0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 90231794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).