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

C6H9BrN2 — CID 123889753

IUPAC5-bromo-3-methyl-2,3-dihydropyridin-2-amine
SMILESCC1C=C(Br)C=NC1N
InChIInChI=1S/C6H9BrN2/c1-4-2-5(7)3-9-6(4)8/h2-4,6H,8H2,1H3
InChIKeyZMSKFPGRDNZZAC-UHFFFAOYSA-N
MW189.06 g/mol
LogP1.27
Rot. Bonds

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

5-bromo-3-methyl-2,3-dihydropyridin-2-amine (PubChem CID 123889753) has the molecular formula C6H9BrN2 and a molecular weight of 189.06 g/mol. Its IUPAC name is 5-bromo-3-methyl-2,3-dihydropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-methyl-2,3-dihydropyridin-2-amine
PubChem CID123889753
Molecular FormulaC6H9BrN2
Molecular Weight189.06 g/mol
Exact Mass187.99
IUPAC Name5-bromo-3-methyl-2,3-dihydropyridin-2-amine
SMILESCC1C=C(Br)C=NC1N
InChIInChI=1S/C6H9BrN2/c1-4-2-5(7)3-9-6(4)8/h2-4,6H,8H2,1H3
InChIKeyZMSKFPGRDNZZAC-UHFFFAOYSA-N
XLogP1.27
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-3-methyl-2H-pyridin-2-amine
CID 67392929
5-Bromo-3-iodo-2,3-dihydropyridin-2-amine
CID 89269331
5-Bromo-2,3-dihydropyridin-2-amine
CID 89688809
4-Bromo-2,3-dihydropyridin-2-amine
CID 123795666
3-Methyl-2,3-dihydropyridin-2-amine
CID 124028194
6-bromo-4-methyl-4H-azepin-2-amine
CID 143600569
5-Bromo-2,3-dihydropyridine-2,3-diamine
CID 172542091

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2,3-dihydropyridin-2-amine?
The IUPAC name of 5-bromo-3-methyl-2,3-dihydropyridin-2-amine (CID 123889753) is 5-bromo-3-methyl-2,3-dihydropyridin-2-amine.
What is the SMILES notation for 5-bromo-3-methyl-2,3-dihydropyridin-2-amine?
The canonical SMILES for 5-bromo-3-methyl-2,3-dihydropyridin-2-amine is CC1C=C(Br)C=NC1N.
What is the InChIKey of 5-bromo-3-methyl-2,3-dihydropyridin-2-amine?
The InChIKey is ZMSKFPGRDNZZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2/c1-4-2-5(7)3-9-6(4)8/h2-4,6H,8H2,1H3.
What are the key properties of 5-bromo-3-methyl-2,3-dihydropyridin-2-amine?
5-bromo-3-methyl-2,3-dihydropyridin-2-amine has a molecular weight of 189.06 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2,3-dihydropyridin-2-amine is sourced from PubChem (CID 123889753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).