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

C6H9BrN2 — CID 68729459

IUPAC5-bromo-3-methyl-1,2-dihydropyridin-2-amine
SMILESCC1=CC(Br)=CNC1N
InChIInChI=1S/C6H9BrN2/c1-4-2-5(7)3-9-6(4)8/h2-3,6,9H,8H2,1H3
InChIKeyXTEOXRWIVBVGRD-UHFFFAOYSA-N
MW189.06 g/mol
LogP1.06
Rot. Bonds

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

5-bromo-3-methyl-1,2-dihydropyridin-2-amine (PubChem CID 68729459) has the molecular formula C6H9BrN2 and a molecular weight of 189.06 g/mol. Its IUPAC name is 5-bromo-3-methyl-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-methyl-1,2-dihydropyridin-2-amine
PubChem CID68729459
Molecular FormulaC6H9BrN2
Molecular Weight189.06 g/mol
Exact Mass187.99
IUPAC Name5-bromo-3-methyl-1,2-dihydropyridin-2-amine
SMILESCC1=CC(Br)=CNC1N
InChIInChI=1S/C6H9BrN2/c1-4-2-5(7)3-9-6(4)8/h2-3,6,9H,8H2,1H3
InChIKeyXTEOXRWIVBVGRD-UHFFFAOYSA-N
XLogP1.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-1,2-dihydropyridin-2-amine?
The IUPAC name of 5-bromo-3-methyl-1,2-dihydropyridin-2-amine (CID 68729459) is 5-bromo-3-methyl-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 5-bromo-3-methyl-1,2-dihydropyridin-2-amine?
The canonical SMILES for 5-bromo-3-methyl-1,2-dihydropyridin-2-amine is CC1=CC(Br)=CNC1N.
What is the InChIKey of 5-bromo-3-methyl-1,2-dihydropyridin-2-amine?
The InChIKey is XTEOXRWIVBVGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2/c1-4-2-5(7)3-9-6(4)8/h2-3,6,9H,8H2,1H3.
What are the key properties of 5-bromo-3-methyl-1,2-dihydropyridin-2-amine?
5-bromo-3-methyl-1,2-dihydropyridin-2-amine has a molecular weight of 189.06 g/mol, XLogP of 1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 68729459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).