5-(2,6-dibromo-4-nitrophenoxy)-N-methylpyridin-3-amine

C12H9Br2N3O3 — CID 104536753

IUPAC5-(2,6-dibromo-4-nitrophenoxy)-N-methylpyridin-3-amine
SMILESCNc1cncc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)c1
InChIInChI=1S/C12H9Br2N3O3/c1-15-7-2-9(6-16-5-7)20-12-10(13)3-8(17(18)19)4-11(12)14/h2-6,15H,1H3
InChIKeyMGLXIYSLKHCRBU-UHFFFAOYSA-N
MW403.03 g/mol
LogP4.35
Rot. Bonds4

About 5-(2,6-dibromo-4-nitrophenoxy)-N-methylpyridin-3-amine

5-(2,6-dibromo-4-nitrophenoxy)-N-methylpyridin-3-amine (PubChem CID 104536753) has the molecular formula C12H9Br2N3O3 and a molecular weight of 403.03 g/mol. Its IUPAC name is 5-(2,6-dibromo-4-nitrophenoxy)-N-methylpyridin-3-amine.

Molecular Properties

Compound Name5-(2,6-dibromo-4-nitrophenoxy)-N-methylpyridin-3-amine
PubChem CID104536753
Molecular FormulaC12H9Br2N3O3
Molecular Weight403.03 g/mol
Exact Mass400.90
IUPAC Name5-(2,6-dibromo-4-nitrophenoxy)-N-methylpyridin-3-amine
SMILESCNc1cncc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)c1
InChIInChI=1S/C12H9Br2N3O3/c1-15-7-2-9(6-16-5-7)20-12-10(13)3-8(17(18)19)4-11(12)14/h2-6,15H,1H3
InChIKeyMGLXIYSLKHCRBU-UHFFFAOYSA-N
XLogP4.35
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.03
LogP ≤ 54.35
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

3-[(5-chloro-3-pyridinyl)oxy]-N-methyl-5-nitroaniline
CID 80877603
N-methyl-5-(4-methyl-2-nitrophenoxy)pyridin-3-amine
CID 104536674
2,6-dibromo-N-methyl-4-nitroaniline
CID 67155784
3-(2,4-dibromophenoxy)-N-methyl-5-nitroaniline
CID 80877999
5-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyridine
CID 62098836
1-N,3-N-dimethyl-5-nitrobenzene-1,3-diamine
CID 80770276
N-methyl-5-(3,4,5-trimethoxyphenoxy)pyridin-3-amine
CID 104537032
5-(2,6-dibromo-4-nitrophenoxy)-1H-pyridin-2-one
CID 164850593
ethane;5-methoxy-N-methylpyridin-3-amine
CID 168998921
5-(2,6-dibromo-4-nitrophenoxy)-3-propan-2-yl-1H-pyridin-2-one
CID 172799506
2,5-dichloro-4-(2,6-dibromo-4-nitrophenoxy)pyrimidine
CID 79633381
3,5-dibromo-4-(4-nitrophenoxy)phenol
CID 18448751

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dibromo-4-nitrophenoxy)-N-methylpyridin-3-amine?
The IUPAC name of 5-(2,6-dibromo-4-nitrophenoxy)-N-methylpyridin-3-amine (CID 104536753) is 5-(2,6-dibromo-4-nitrophenoxy)-N-methylpyridin-3-amine.
What is the SMILES notation for 5-(2,6-dibromo-4-nitrophenoxy)-N-methylpyridin-3-amine?
The canonical SMILES for 5-(2,6-dibromo-4-nitrophenoxy)-N-methylpyridin-3-amine is CNc1cncc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)c1.
What is the InChIKey of 5-(2,6-dibromo-4-nitrophenoxy)-N-methylpyridin-3-amine?
The InChIKey is MGLXIYSLKHCRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2N3O3/c1-15-7-2-9(6-16-5-7)20-12-10(13)3-8(17(18)19)4-11(12)14/h2-6,15H,1H3.
What are the key properties of 5-(2,6-dibromo-4-nitrophenoxy)-N-methylpyridin-3-amine?
5-(2,6-dibromo-4-nitrophenoxy)-N-methylpyridin-3-amine has a molecular weight of 403.03 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dibromo-4-nitrophenoxy)-N-methylpyridin-3-amine is sourced from PubChem (CID 104536753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).