5-bromo-2,3-dihydropyridine-2,3-diamine

C5H8BrN3 — CID 172542091

IUPAC5-bromo-2,3-dihydropyridine-2,3-diamine
SMILESNC1C=C(Br)C=NC1N
InChIInChI=1S/C5H8BrN3/c6-3-1-4(7)5(8)9-2-3/h1-2,4-5H,7-8H2
InChIKeyBPVFPGHXTUKTSZ-UHFFFAOYSA-N
MW190.04 g/mol
LogP-0.04
Rot. Bonds

About 5-bromo-2,3-dihydropyridine-2,3-diamine

5-bromo-2,3-dihydropyridine-2,3-diamine (PubChem CID 172542091) has the molecular formula C5H8BrN3 and a molecular weight of 190.04 g/mol. Its IUPAC name is 5-bromo-2,3-dihydropyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2,3-dihydropyridine-2,3-diamine
PubChem CID172542091
Molecular FormulaC5H8BrN3
Molecular Weight190.04 g/mol
Exact Mass188.99
IUPAC Name5-bromo-2,3-dihydropyridine-2,3-diamine
SMILESNC1C=C(Br)C=NC1N
InChIInChI=1S/C5H8BrN3/c6-3-1-4(7)5(8)9-2-3/h1-2,4-5H,7-8H2
InChIKeyBPVFPGHXTUKTSZ-UHFFFAOYSA-N
XLogP-0.04
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dihydropyridin-3-amine
CID 57288527
3-bromo-2H-pyridine-2,3-diamine
CID 67597930
5-Bromo-2,3-dihydropyridin-2-amine
CID 89688809
5-bromo-2H-pyridine-2,5-diamine
CID 90384142
4-Bromo-2,3-dihydropyridin-2-amine
CID 123795666
5-Bromo-3-methyl-2,3-dihydropyridin-2-amine
CID 123889753
(3-Amino-2,3-dihydropyridin-2-yl)-methylidyneazanium
CID 142972757
3-bromo-5-chloro-2H-pyridin-3-amine
CID 172843988
(3S)-2,3-dihydropyridin-3-amine
CID 173884377
3-amino-5-bromo-3H-pyridine-2-thione
CID 76896036

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dihydropyridine-2,3-diamine?
The IUPAC name of 5-bromo-2,3-dihydropyridine-2,3-diamine (CID 172542091) is 5-bromo-2,3-dihydropyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2,3-dihydropyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2,3-dihydropyridine-2,3-diamine is NC1C=C(Br)C=NC1N.
What is the InChIKey of 5-bromo-2,3-dihydropyridine-2,3-diamine?
The InChIKey is BPVFPGHXTUKTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN3/c6-3-1-4(7)5(8)9-2-3/h1-2,4-5H,7-8H2.
What are the key properties of 5-bromo-2,3-dihydropyridine-2,3-diamine?
5-bromo-2,3-dihydropyridine-2,3-diamine has a molecular weight of 190.04 g/mol, XLogP of -0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dihydropyridine-2,3-diamine is sourced from PubChem (CID 172542091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).