5-bromo-3-N-methylpyridine-2,3-diamine

C6H8BrN3 — CID 10035731

IUPAC5-bromo-3-N-methylpyridine-2,3-diamine
SMILESCNc1cc(Br)cnc1N
InChIInChI=1S/C6H8BrN3/c1-9-5-2-4(7)3-10-6(5)8/h2-3,9H,1H3,(H2,8,10)
InChIKeyIEZBJIKJXNNYFC-UHFFFAOYSA-N
MW202.06 g/mol
LogP1.47
Rot. Bonds1

About 5-bromo-3-N-methylpyridine-2,3-diamine

5-bromo-3-N-methylpyridine-2,3-diamine (PubChem CID 10035731) has the molecular formula C6H8BrN3 and a molecular weight of 202.06 g/mol. Its IUPAC name is 5-bromo-3-N-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-3-N-methylpyridine-2,3-diamine
PubChem CID10035731
Molecular FormulaC6H8BrN3
Molecular Weight202.06 g/mol
Exact Mass200.99
IUPAC Name5-bromo-3-N-methylpyridine-2,3-diamine
SMILESCNc1cc(Br)cnc1N
InChIInChI=1S/C6H8BrN3/c1-9-5-2-4(7)3-10-6(5)8/h2-3,9H,1H3,(H2,8,10)
InChIKeyIEZBJIKJXNNYFC-UHFFFAOYSA-N
XLogP1.47
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.06
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-N-methylpyridine-2,3-diamine?
The IUPAC name of 5-bromo-3-N-methylpyridine-2,3-diamine (CID 10035731) is 5-bromo-3-N-methylpyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-3-N-methylpyridine-2,3-diamine?
The canonical SMILES for 5-bromo-3-N-methylpyridine-2,3-diamine is CNc1cc(Br)cnc1N.
What is the InChIKey of 5-bromo-3-N-methylpyridine-2,3-diamine?
The InChIKey is IEZBJIKJXNNYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3/c1-9-5-2-4(7)3-10-6(5)8/h2-3,9H,1H3,(H2,8,10).
What are the key properties of 5-bromo-3-N-methylpyridine-2,3-diamine?
5-bromo-3-N-methylpyridine-2,3-diamine has a molecular weight of 202.06 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-N-methylpyridine-2,3-diamine is sourced from PubChem (CID 10035731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).