4-bromo-2,3-dihydropyridin-2-amine

C5H7BrN2 — CID 123795666

IUPAC4-bromo-2,3-dihydropyridin-2-amine
SMILESNC1CC(Br)=CC=N1
InChIInChI=1S/C5H7BrN2/c6-4-1-2-8-5(7)3-4/h1-2,5H,3,7H2
InChIKeyKYAGGDBWGMCKPM-UHFFFAOYSA-N
MW175.03 g/mol
LogP1.02
Rot. Bonds

About 4-bromo-2,3-dihydropyridin-2-amine

4-bromo-2,3-dihydropyridin-2-amine (PubChem CID 123795666) has the molecular formula C5H7BrN2 and a molecular weight of 175.03 g/mol. Its IUPAC name is 4-bromo-2,3-dihydropyridin-2-amine.

Molecular Properties

Compound Name4-bromo-2,3-dihydropyridin-2-amine
PubChem CID123795666
Molecular FormulaC5H7BrN2
Molecular Weight175.03 g/mol
Exact Mass173.98
IUPAC Name4-bromo-2,3-dihydropyridin-2-amine
SMILESNC1CC(Br)=CC=N1
InChIInChI=1S/C5H7BrN2/c6-4-1-2-8-5(7)3-4/h1-2,5H,3,7H2
InChIKeyKYAGGDBWGMCKPM-UHFFFAOYSA-N
XLogP1.02
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.03
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dihydropyridin-2-amine?
The IUPAC name of 4-bromo-2,3-dihydropyridin-2-amine (CID 123795666) is 4-bromo-2,3-dihydropyridin-2-amine.
What is the SMILES notation for 4-bromo-2,3-dihydropyridin-2-amine?
The canonical SMILES for 4-bromo-2,3-dihydropyridin-2-amine is NC1CC(Br)=CC=N1.
What is the InChIKey of 4-bromo-2,3-dihydropyridin-2-amine?
The InChIKey is KYAGGDBWGMCKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2/c6-4-1-2-8-5(7)3-4/h1-2,5H,3,7H2.
What are the key properties of 4-bromo-2,3-dihydropyridin-2-amine?
4-bromo-2,3-dihydropyridin-2-amine has a molecular weight of 175.03 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-dihydropyridin-2-amine is sourced from PubChem (CID 123795666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).