6-bromo-N-methyl-N-propylpyridin-3-amine

C9H13BrN2 — CID 58181308

IUPAC6-bromo-N-methyl-N-propylpyridin-3-amine
SMILESCCCN(C)c1ccc(Br)nc1
InChIInChI=1S/C9H13BrN2/c1-3-6-12(2)8-4-5-9(10)11-7-8/h4-5,7H,3,6H2,1-2H3
InChIKeyYZFCYFMKGVTABL-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.69
Rot. Bonds3

About 6-bromo-N-methyl-N-propylpyridin-3-amine

6-bromo-N-methyl-N-propylpyridin-3-amine (PubChem CID 58181308) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is 6-bromo-N-methyl-N-propylpyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-N-propylpyridin-3-amine
PubChem CID58181308
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name6-bromo-N-methyl-N-propylpyridin-3-amine
SMILESCCCN(C)c1ccc(Br)nc1
InChIInChI=1S/C9H13BrN2/c1-3-6-12(2)8-4-5-9(10)11-7-8/h4-5,7H,3,6H2,1-2H3
InChIKeyYZFCYFMKGVTABL-UHFFFAOYSA-N
XLogP2.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-N-propylpyridin-3-amine?
The IUPAC name of 6-bromo-N-methyl-N-propylpyridin-3-amine (CID 58181308) is 6-bromo-N-methyl-N-propylpyridin-3-amine.
What is the SMILES notation for 6-bromo-N-methyl-N-propylpyridin-3-amine?
The canonical SMILES for 6-bromo-N-methyl-N-propylpyridin-3-amine is CCCN(C)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-methyl-N-propylpyridin-3-amine?
The InChIKey is YZFCYFMKGVTABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-3-6-12(2)8-4-5-9(10)11-7-8/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 6-bromo-N-methyl-N-propylpyridin-3-amine?
6-bromo-N-methyl-N-propylpyridin-3-amine has a molecular weight of 229.12 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-N-propylpyridin-3-amine is sourced from PubChem (CID 58181308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).