6-bromo-3-chloropyridin-2-amine;hydrochloride

C5H5BrCl2N2 — CID 146082518

IUPAC6-bromo-3-chloropyridin-2-amine;hydrochloride
SMILESCl.Nc1nc(Br)ccc1Cl
InChIInChI=1S/C5H4BrClN2.ClH/c6-4-2-1-3(7)5(8)9-4;/h1-2H,(H2,8,9);1H
InChIKeyAVSVQMKXXJYRLL-UHFFFAOYSA-N
MW243.92 g/mol
LogP2.50
Rot. Bonds

About 6-bromo-3-chloropyridin-2-amine;hydrochloride

6-bromo-3-chloropyridin-2-amine;hydrochloride (PubChem CID 146082518) has the molecular formula C5H5BrCl2N2 and a molecular weight of 243.92 g/mol. Its IUPAC name is 6-bromo-3-chloropyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name6-bromo-3-chloropyridin-2-amine;hydrochloride
PubChem CID146082518
Molecular FormulaC5H5BrCl2N2
Molecular Weight243.92 g/mol
Exact Mass241.90
IUPAC Name6-bromo-3-chloropyridin-2-amine;hydrochloride
SMILESCl.Nc1nc(Br)ccc1Cl
InChIInChI=1S/C5H4BrClN2.ClH/c6-4-2-1-3(7)5(8)9-4;/h1-2H,(H2,8,9);1H
InChIKeyAVSVQMKXXJYRLL-UHFFFAOYSA-N
XLogP2.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.92
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloropyridin-2-amine;hydrochloride?
The IUPAC name of 6-bromo-3-chloropyridin-2-amine;hydrochloride (CID 146082518) is 6-bromo-3-chloropyridin-2-amine;hydrochloride.
What is the SMILES notation for 6-bromo-3-chloropyridin-2-amine;hydrochloride?
The canonical SMILES for 6-bromo-3-chloropyridin-2-amine;hydrochloride is Cl.Nc1nc(Br)ccc1Cl.
What is the InChIKey of 6-bromo-3-chloropyridin-2-amine;hydrochloride?
The InChIKey is AVSVQMKXXJYRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClN2.ClH/c6-4-2-1-3(7)5(8)9-4;/h1-2H,(H2,8,9);1H.
What are the key properties of 6-bromo-3-chloropyridin-2-amine;hydrochloride?
6-bromo-3-chloropyridin-2-amine;hydrochloride has a molecular weight of 243.92 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-chloropyridin-2-amine;hydrochloride is sourced from PubChem (CID 146082518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).