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

C5H6BrClN2 — CID 91591096

IUPAC3-bromo-5-chloro-2,3-dihydropyridin-2-amine
SMILESNC1N=CC(Cl)=CC1Br
InChIInChI=1S/C5H6BrClN2/c6-4-1-3(7)2-9-5(4)8/h1-2,4-5H,8H2
InChIKeySANIESHNIOONTO-UHFFFAOYSA-N
MW209.47 g/mol
LogP1.24
Rot. Bonds

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

3-bromo-5-chloro-2,3-dihydropyridin-2-amine (PubChem CID 91591096) has the molecular formula C5H6BrClN2 and a molecular weight of 209.47 g/mol. Its IUPAC name is 3-bromo-5-chloro-2,3-dihydropyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-2,3-dihydropyridin-2-amine
PubChem CID91591096
Molecular FormulaC5H6BrClN2
Molecular Weight209.47 g/mol
Exact Mass207.94
IUPAC Name3-bromo-5-chloro-2,3-dihydropyridin-2-amine
SMILESNC1N=CC(Cl)=CC1Br
InChIInChI=1S/C5H6BrClN2/c6-4-1-3(7)2-9-5(4)8/h1-2,4-5H,8H2
InChIKeySANIESHNIOONTO-UHFFFAOYSA-N
XLogP1.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.47
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2,3-dihydropyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-2,3-dihydropyridin-2-amine (CID 91591096) is 3-bromo-5-chloro-2,3-dihydropyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-2,3-dihydropyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-2,3-dihydropyridin-2-amine is NC1N=CC(Cl)=CC1Br.
What is the InChIKey of 3-bromo-5-chloro-2,3-dihydropyridin-2-amine?
The InChIKey is SANIESHNIOONTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrClN2/c6-4-1-3(7)2-9-5(4)8/h1-2,4-5H,8H2.
What are the key properties of 3-bromo-5-chloro-2,3-dihydropyridin-2-amine?
3-bromo-5-chloro-2,3-dihydropyridin-2-amine has a molecular weight of 209.47 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2,3-dihydropyridin-2-amine is sourced from PubChem (CID 91591096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).