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

C5H6BrIN2 — CID 89269331

IUPAC5-bromo-3-iodo-2,3-dihydropyridin-2-amine
SMILESNC1N=CC(Br)=CC1I
InChIInChI=1S/C5H6BrIN2/c6-3-1-4(7)5(8)9-2-3/h1-2,4-5H,8H2
InChIKeyXIYKCACWQDAPMW-UHFFFAOYSA-N
MW300.93 g/mol
LogP1.44
Rot. Bonds

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

5-bromo-3-iodo-2,3-dihydropyridin-2-amine (PubChem CID 89269331) has the molecular formula C5H6BrIN2 and a molecular weight of 300.93 g/mol. Its IUPAC name is 5-bromo-3-iodo-2,3-dihydropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-iodo-2,3-dihydropyridin-2-amine
PubChem CID89269331
Molecular FormulaC5H6BrIN2
Molecular Weight300.93 g/mol
Exact Mass299.88
IUPAC Name5-bromo-3-iodo-2,3-dihydropyridin-2-amine
SMILESNC1N=CC(Br)=CC1I
InChIInChI=1S/C5H6BrIN2/c6-3-1-4(7)5(8)9-2-3/h1-2,4-5H,8H2
InChIKeyXIYKCACWQDAPMW-UHFFFAOYSA-N
XLogP1.44
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.93
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-iodo-2,3-dihydropyridin-2-amine?
The IUPAC name of 5-bromo-3-iodo-2,3-dihydropyridin-2-amine (CID 89269331) is 5-bromo-3-iodo-2,3-dihydropyridin-2-amine.
What is the SMILES notation for 5-bromo-3-iodo-2,3-dihydropyridin-2-amine?
The canonical SMILES for 5-bromo-3-iodo-2,3-dihydropyridin-2-amine is NC1N=CC(Br)=CC1I.
What is the InChIKey of 5-bromo-3-iodo-2,3-dihydropyridin-2-amine?
The InChIKey is XIYKCACWQDAPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrIN2/c6-3-1-4(7)5(8)9-2-3/h1-2,4-5H,8H2.
What are the key properties of 5-bromo-3-iodo-2,3-dihydropyridin-2-amine?
5-bromo-3-iodo-2,3-dihydropyridin-2-amine has a molecular weight of 300.93 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-iodo-2,3-dihydropyridin-2-amine is sourced from PubChem (CID 89269331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).