5-bromo-4-N-methylpyridine-3,4-diamine

C6H8BrN3 — CID 24903740

IUPAC5-bromo-4-N-methylpyridine-3,4-diamine
SMILESCNc1c(N)cncc1Br
InChIInChI=1S/C6H8BrN3/c1-9-6-4(7)2-10-3-5(6)8/h2-3H,8H2,1H3,(H,9,10)
InChIKeyCEEXBFOWCDXSEN-UHFFFAOYSA-N
MW202.06 g/mol
LogP1.47
Rot. Bonds1

About 5-bromo-4-N-methylpyridine-3,4-diamine

5-bromo-4-N-methylpyridine-3,4-diamine (PubChem CID 24903740) has the molecular formula C6H8BrN3 and a molecular weight of 202.06 g/mol. Its IUPAC name is 5-bromo-4-N-methylpyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-methylpyridine-3,4-diamine
PubChem CID24903740
Molecular FormulaC6H8BrN3
Molecular Weight202.06 g/mol
Exact Mass200.99
IUPAC Name5-bromo-4-N-methylpyridine-3,4-diamine
SMILESCNc1c(N)cncc1Br
InChIInChI=1S/C6H8BrN3/c1-9-6-4(7)2-10-3-5(6)8/h2-3H,8H2,1H3,(H,9,10)
InChIKeyCEEXBFOWCDXSEN-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-4-N-methylpyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-methylpyridine-3,4-diamine (CID 24903740) is 5-bromo-4-N-methylpyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-methylpyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-methylpyridine-3,4-diamine is CNc1c(N)cncc1Br.
What is the InChIKey of 5-bromo-4-N-methylpyridine-3,4-diamine?
The InChIKey is CEEXBFOWCDXSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3/c1-9-6-4(7)2-10-3-5(6)8/h2-3H,8H2,1H3,(H,9,10).
What are the key properties of 5-bromo-4-N-methylpyridine-3,4-diamine?
5-bromo-4-N-methylpyridine-3,4-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-4-N-methylpyridine-3,4-diamine is sourced from PubChem (CID 24903740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).