5-bromo-6-(dimethoxymethyl)-N-methylpyridin-2-amine

C9H13BrN2O2 — CID 138608597

IUPAC5-bromo-6-(dimethoxymethyl)-N-methylpyridin-2-amine
SMILESCNc1ccc(Br)c(C(OC)OC)n1
InChIInChI=1S/C9H13BrN2O2/c1-11-7-5-4-6(10)8(12-7)9(13-2)14-3/h4-5,9H,1-3H3,(H,11,12)
InChIKeyNOJDNDRPKLKFFV-UHFFFAOYSA-N
MW261.12 g/mol
LogP2.18
Rot. Bonds4

About 5-bromo-6-(dimethoxymethyl)-N-methylpyridin-2-amine

5-bromo-6-(dimethoxymethyl)-N-methylpyridin-2-amine (PubChem CID 138608597) has the molecular formula C9H13BrN2O2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 5-bromo-6-(dimethoxymethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-6-(dimethoxymethyl)-N-methylpyridin-2-amine
PubChem CID138608597
Molecular FormulaC9H13BrN2O2
Molecular Weight261.12 g/mol
Exact Mass260.02
IUPAC Name5-bromo-6-(dimethoxymethyl)-N-methylpyridin-2-amine
SMILESCNc1ccc(Br)c(C(OC)OC)n1
InChIInChI=1S/C9H13BrN2O2/c1-11-7-5-4-6(10)8(12-7)9(13-2)14-3/h4-5,9H,1-3H3,(H,11,12)
InChIKeyNOJDNDRPKLKFFV-UHFFFAOYSA-N
XLogP2.18
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-bromo-6-(dimethoxymethyl)-N-methylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(dimethoxymethyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-bromo-6-(dimethoxymethyl)-N-methylpyridin-2-amine (CID 138608597) is 5-bromo-6-(dimethoxymethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-6-(dimethoxymethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-6-(dimethoxymethyl)-N-methylpyridin-2-amine is CNc1ccc(Br)c(C(OC)OC)n1.
What is the InChIKey of 5-bromo-6-(dimethoxymethyl)-N-methylpyridin-2-amine?
The InChIKey is NOJDNDRPKLKFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2/c1-11-7-5-4-6(10)8(12-7)9(13-2)14-3/h4-5,9H,1-3H3,(H,11,12).
What are the key properties of 5-bromo-6-(dimethoxymethyl)-N-methylpyridin-2-amine?
5-bromo-6-(dimethoxymethyl)-N-methylpyridin-2-amine has a molecular weight of 261.12 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(dimethoxymethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 138608597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).