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

C5H6BrClN2 — CID 131970510

IUPAC5-bromo-3-chloro-1,2-dihydropyridin-2-amine
SMILESNC1NC=C(Br)C=C1Cl
InChIInChI=1S/C5H6BrClN2/c6-3-1-4(7)5(8)9-2-3/h1-2,5,9H,8H2
InChIKeySOSNGFLSRACCEM-UHFFFAOYSA-N
MW209.47 g/mol
LogP1.23
Rot. Bonds

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

5-bromo-3-chloro-1,2-dihydropyridin-2-amine (PubChem CID 131970510) has the molecular formula C5H6BrClN2 and a molecular weight of 209.47 g/mol. Its IUPAC name is 5-bromo-3-chloro-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-1,2-dihydropyridin-2-amine
PubChem CID131970510
Molecular FormulaC5H6BrClN2
Molecular Weight209.47 g/mol
Exact Mass207.94
IUPAC Name5-bromo-3-chloro-1,2-dihydropyridin-2-amine
SMILESNC1NC=C(Br)C=C1Cl
InChIInChI=1S/C5H6BrClN2/c6-3-1-4(7)5(8)9-2-3/h1-2,5,9H,8H2
InChIKeySOSNGFLSRACCEM-UHFFFAOYSA-N
XLogP1.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.47
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-1,2-dihydropyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-1,2-dihydropyridin-2-amine (CID 131970510) is 5-bromo-3-chloro-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-1,2-dihydropyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-1,2-dihydropyridin-2-amine is NC1NC=C(Br)C=C1Cl.
What is the InChIKey of 5-bromo-3-chloro-1,2-dihydropyridin-2-amine?
The InChIKey is SOSNGFLSRACCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrClN2/c6-3-1-4(7)5(8)9-2-3/h1-2,5,9H,8H2.
What are the key properties of 5-bromo-3-chloro-1,2-dihydropyridin-2-amine?
5-bromo-3-chloro-1,2-dihydropyridin-2-amine has a molecular weight of 209.47 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 131970510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).