6-[(3-bromophenyl)methoxy]-N-ethyl-5-nitropyridin-2-amine

C14H14BrN3O3 — CID 82808221

IUPAC6-[(3-bromophenyl)methoxy]-N-ethyl-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(OCc2cccc(Br)c2)n1
InChIInChI=1S/C14H14BrN3O3/c1-2-16-13-7-6-12(18(19)20)14(17-13)21-9-10-4-3-5-11(15)8-10/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyZCRBMOGQKNBWPF-UHFFFAOYSA-N
MW352.19 g/mol
LogP3.76
Rot. Bonds6

About 6-[(3-bromophenyl)methoxy]-N-ethyl-5-nitropyridin-2-amine

6-[(3-bromophenyl)methoxy]-N-ethyl-5-nitropyridin-2-amine (PubChem CID 82808221) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is 6-[(3-bromophenyl)methoxy]-N-ethyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-[(3-bromophenyl)methoxy]-N-ethyl-5-nitropyridin-2-amine
PubChem CID82808221
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name6-[(3-bromophenyl)methoxy]-N-ethyl-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(OCc2cccc(Br)c2)n1
InChIInChI=1S/C14H14BrN3O3/c1-2-16-13-7-6-12(18(19)20)14(17-13)21-9-10-4-3-5-11(15)8-10/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyZCRBMOGQKNBWPF-UHFFFAOYSA-N
XLogP3.76
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromophenyl)methoxy]-6-chloro-3-nitropyridine
CID 82823985
5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine
CID 80845026
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol
CID 80859500
6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine
CID 80861167
4-bromo-1-[(3-bromophenyl)methoxy]-2-nitrobenzene
CID 65431310
6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80880817
N-ethyl-6-(2-fluoro-3-methylphenoxy)-5-nitropyridin-2-amine
CID 107662749
6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80878288
6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80861686
N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine
CID 80869251
N-ethyl-6-[2-(2-methylpropoxy)ethoxy]-5-nitropyridin-2-amine
CID 106451264
2-N-(2,4-dibromophenyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80781437

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromophenyl)methoxy]-N-ethyl-5-nitropyridin-2-amine?
The IUPAC name of 6-[(3-bromophenyl)methoxy]-N-ethyl-5-nitropyridin-2-amine (CID 82808221) is 6-[(3-bromophenyl)methoxy]-N-ethyl-5-nitropyridin-2-amine.
What is the SMILES notation for 6-[(3-bromophenyl)methoxy]-N-ethyl-5-nitropyridin-2-amine?
The canonical SMILES for 6-[(3-bromophenyl)methoxy]-N-ethyl-5-nitropyridin-2-amine is CCNc1ccc([N+](=O)[O-])c(OCc2cccc(Br)c2)n1.
What is the InChIKey of 6-[(3-bromophenyl)methoxy]-N-ethyl-5-nitropyridin-2-amine?
The InChIKey is ZCRBMOGQKNBWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c1-2-16-13-7-6-12(18(19)20)14(17-13)21-9-10-4-3-5-11(15)8-10/h3-8H,2,9H2,1H3,(H,16,17).
What are the key properties of 6-[(3-bromophenyl)methoxy]-N-ethyl-5-nitropyridin-2-amine?
6-[(3-bromophenyl)methoxy]-N-ethyl-5-nitropyridin-2-amine has a molecular weight of 352.19 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromophenyl)methoxy]-N-ethyl-5-nitropyridin-2-amine is sourced from PubChem (CID 82808221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).