N'-(6-bromo-2-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine

C9H14BrN3O — CID 138571158

IUPACN'-(6-bromo-2-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine
SMILESCNCCNc1ccc(Br)nc1OC
InChIInChI=1S/C9H14BrN3O/c1-11-5-6-12-7-3-4-8(10)13-9(7)14-2/h3-4,11-12H,5-6H2,1-2H3
InChIKeyZYPRXGVCNORLDY-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.48
Rot. Bonds5

About N'-(6-bromo-2-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine

N'-(6-bromo-2-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine (PubChem CID 138571158) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is N'-(6-bromo-2-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-bromo-2-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine
PubChem CID138571158
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC NameN'-(6-bromo-2-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine
SMILESCNCCNc1ccc(Br)nc1OC
InChIInChI=1S/C9H14BrN3O/c1-11-5-6-12-7-3-4-8(10)13-9(7)14-2/h3-4,11-12H,5-6H2,1-2H3
InChIKeyZYPRXGVCNORLDY-UHFFFAOYSA-N
XLogP1.48
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-methoxy-N-propan-2-ylpyridin-3-amine
CID 71359476
methyl 2-(6-bromo-2-methoxy-3-pyridinyl)acetate
CID 133098116
N'-(6-bromo-2-methoxy-3-pyridinyl)-3-ethoxyprop-2-enehydrazide
CID 131748278
2-[(6-chloro-2-methoxy-3-pyridinyl)amino]ethyl acetate
CID 150415416
6-bromo-2-methoxypyridine-3-carboxylic acid
CID 71303922
(1S)-1-(6-bromo-2-methoxy-3-pyridinyl)ethanamine;hydrochloride
CID 169081733
6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine
CID 130089390
6-dimethylphosphanyl-2-methoxy-N-prop-2-ynylpyridin-3-amine
CID 171574127
4-methoxy-2-N-methyl-1-N-propylbenzene-1,2-diamine
CID 134239209
N-[2-[(5-bromo-3-methoxypyrazin-2-yl)amino]ethyl]acetamide
CID 156822535
N-[(1S)-1-(6-bromo-2-methoxy-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 146236543
N'-(2-methoxy-4-propan-2-ylphenyl)-N-methylbutane-1,4-diamine
CID 115201692

Frequently Asked Questions

What is the IUPAC name of N'-(6-bromo-2-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine?
The IUPAC name of N'-(6-bromo-2-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine (CID 138571158) is N'-(6-bromo-2-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-(6-bromo-2-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N'-(6-bromo-2-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine is CNCCNc1ccc(Br)nc1OC.
What is the InChIKey of N'-(6-bromo-2-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine?
The InChIKey is ZYPRXGVCNORLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-11-5-6-12-7-3-4-8(10)13-9(7)14-2/h3-4,11-12H,5-6H2,1-2H3.
What are the key properties of N'-(6-bromo-2-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine?
N'-(6-bromo-2-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine has a molecular weight of 260.13 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-bromo-2-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 138571158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).