5-bromopyridine-2,3-diamine;hydrochloride

C5H7BrClN3 — CID 77174586

IUPAC5-bromopyridine-2,3-diamine;hydrochloride
SMILESCl.Nc1cc(Br)cnc1N
InChIInChI=1S/C5H6BrN3.ClH/c6-3-1-4(7)5(8)9-2-3;/h1-2H,7H2,(H2,8,9);1H
InChIKeyOHXJNYRFEFECGD-UHFFFAOYSA-N
MW224.49 g/mol
LogP1.43
Rot. Bonds

About 5-bromopyridine-2,3-diamine;hydrochloride

5-bromopyridine-2,3-diamine;hydrochloride (PubChem CID 77174586) has the molecular formula C5H7BrClN3 and a molecular weight of 224.49 g/mol. Its IUPAC name is 5-bromopyridine-2,3-diamine;hydrochloride.

Molecular Properties

Compound Name5-bromopyridine-2,3-diamine;hydrochloride
PubChem CID77174586
Molecular FormulaC5H7BrClN3
Molecular Weight224.49 g/mol
Exact Mass222.95
IUPAC Name5-bromopyridine-2,3-diamine;hydrochloride
SMILESCl.Nc1cc(Br)cnc1N
InChIInChI=1S/C5H6BrN3.ClH/c6-3-1-4(7)5(8)9-2-3;/h1-2H,7H2,(H2,8,9);1H
InChIKeyOHXJNYRFEFECGD-UHFFFAOYSA-N
XLogP1.43
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.49
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5-bromopyridine
CID 70622
2,3-Diaminopyridine
CID 9956
2,5-Pyridinediamine
CID 20314
6-Bromopyridin-3-amine
CID 642811
3-Amino-5-bromopyridine
CID 817681
6-bromo-3H-imidazo(4,5-b)pyridine-2-thiol
CID 911730
5-Bromopyridine-2,3-diamine
CID 691156
3-Amino-2-bromopyridine
CID 642816
5-Amino-2-bromo-3-methylpyridine
CID 12362446
5-Bromo-6-chloropyridin-3-amine
CID 14595221
5-bromo-2-nitro-N-phenylpyridin-3-amine
CID 2842429
2-Amino-3-bromopyridine
CID 817700

Frequently Asked Questions

What is the IUPAC name of 5-bromopyridine-2,3-diamine;hydrochloride?
The IUPAC name of 5-bromopyridine-2,3-diamine;hydrochloride (CID 77174586) is 5-bromopyridine-2,3-diamine;hydrochloride.
What is the SMILES notation for 5-bromopyridine-2,3-diamine;hydrochloride?
The canonical SMILES for 5-bromopyridine-2,3-diamine;hydrochloride is Cl.Nc1cc(Br)cnc1N.
What is the InChIKey of 5-bromopyridine-2,3-diamine;hydrochloride?
The InChIKey is OHXJNYRFEFECGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3.ClH/c6-3-1-4(7)5(8)9-2-3;/h1-2H,7H2,(H2,8,9);1H.
What are the key properties of 5-bromopyridine-2,3-diamine;hydrochloride?
5-bromopyridine-2,3-diamine;hydrochloride has a molecular weight of 224.49 g/mol, XLogP of 1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridine-2,3-diamine;hydrochloride is sourced from PubChem (CID 77174586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).