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

C7H10BrN3O — CID 79532538

IUPAC3-bromo-2-N-methoxy-2-N-methylpyridine-2,5-diamine
SMILESCON(C)c1ncc(N)cc1Br
InChIInChI=1S/C7H10BrN3O/c1-11(12-2)7-6(8)3-5(9)4-10-7/h3-4H,9H2,1-2H3
InChIKeyBIICMFSOYQUJIY-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.42
Rot. Bonds2

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

3-bromo-2-N-methoxy-2-N-methylpyridine-2,5-diamine (PubChem CID 79532538) has the molecular formula C7H10BrN3O and a molecular weight of 232.08 g/mol. Its IUPAC name is 3-bromo-2-N-methoxy-2-N-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-methoxy-2-N-methylpyridine-2,5-diamine
PubChem CID79532538
Molecular FormulaC7H10BrN3O
Molecular Weight232.08 g/mol
Exact Mass231.00
IUPAC Name3-bromo-2-N-methoxy-2-N-methylpyridine-2,5-diamine
SMILESCON(C)c1ncc(N)cc1Br
InChIInChI=1S/C7H10BrN3O/c1-11(12-2)7-6(8)3-5(9)4-10-7/h3-4H,9H2,1-2H3
InChIKeyBIICMFSOYQUJIY-UHFFFAOYSA-N
XLogP1.42
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-methoxy-2-N-methylpyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-methoxy-2-N-methylpyridine-2,5-diamine (CID 79532538) is 3-bromo-2-N-methoxy-2-N-methylpyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-methoxy-2-N-methylpyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-methoxy-2-N-methylpyridine-2,5-diamine is CON(C)c1ncc(N)cc1Br.
What is the InChIKey of 3-bromo-2-N-methoxy-2-N-methylpyridine-2,5-diamine?
The InChIKey is BIICMFSOYQUJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O/c1-11(12-2)7-6(8)3-5(9)4-10-7/h3-4H,9H2,1-2H3.
What are the key properties of 3-bromo-2-N-methoxy-2-N-methylpyridine-2,5-diamine?
3-bromo-2-N-methoxy-2-N-methylpyridine-2,5-diamine has a molecular weight of 232.08 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-methoxy-2-N-methylpyridine-2,5-diamine is sourced from PubChem (CID 79532538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).