N-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine

C13H13N3O3 — CID 80862408

IUPACN-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(Oc2ccc(C)cc2)n1
InChIInChI=1S/C13H13N3O3/c1-9-3-5-10(6-4-9)19-13-11(16(17)18)7-8-12(14-2)15-13/h3-8H,1-2H3,(H,14,15)
InChIKeyDURDBOJEOGKUSK-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.13
Rot. Bonds4

About N-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine

N-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine (PubChem CID 80862408) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine
PubChem CID80862408
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC NameN-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(Oc2ccc(C)cc2)n1
InChIInChI=1S/C13H13N3O3/c1-9-3-5-10(6-4-9)19-13-11(16(17)18)7-8-12(14-2)15-13/h3-8H,1-2H3,(H,14,15)
InChIKeyDURDBOJEOGKUSK-UHFFFAOYSA-N
XLogP3.13
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.13
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

6-(4-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80869880
6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80864419
6-(3-fluoro-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 107171804
6-(2-bromo-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80860264
6-(4-bromo-3-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80877339
6-(5-fluoro-2-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 102989036
4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline
CID 115323350
[6-(4-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine
CID 80915190
[4-(4-methylphenoxy)-5-nitropyrimidin-2-yl]hydrazine
CID 114045144
6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80878170
2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine
CID 24632876
2-(4-iodophenoxy)-6-methyl-3-nitropyridine
CID 81131555

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine?
The IUPAC name of N-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine (CID 80862408) is N-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine.
What is the SMILES notation for N-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine?
The canonical SMILES for N-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine is CNc1ccc([N+](=O)[O-])c(Oc2ccc(C)cc2)n1.
What is the InChIKey of N-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine?
The InChIKey is DURDBOJEOGKUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-9-3-5-10(6-4-9)19-13-11(16(17)18)7-8-12(14-2)15-13/h3-8H,1-2H3,(H,14,15).
What are the key properties of N-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine?
N-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine has a molecular weight of 259.27 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine is sourced from PubChem (CID 80862408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).