6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine

C12H10N4O5 — CID 80879134

IUPAC6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(Oc2nc(N)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C12H10N4O5/c1-7-2-3-8(15(17)18)10(6-7)21-12-9(16(19)20)4-5-11(13)14-12/h2-6H,1H3,(H2,13,14)
InChIKeyBDZHGQDCJMIOJI-UHFFFAOYSA-N
MW290.24 g/mol
LogP2.58
Rot. Bonds4

About 6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine

6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine (PubChem CID 80879134) has the molecular formula C12H10N4O5 and a molecular weight of 290.24 g/mol. Its IUPAC name is 6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine
PubChem CID80879134
Molecular FormulaC12H10N4O5
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(Oc2nc(N)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C12H10N4O5/c1-7-2-3-8(15(17)18)10(6-7)21-12-9(16(19)20)4-5-11(13)14-12/h2-6H,1H3,(H2,13,14)
InChIKeyBDZHGQDCJMIOJI-UHFFFAOYSA-N
XLogP2.58
TPSA134.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80862579
2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine
CID 102749610
5-nitro-6-(2,3,6-trimethylphenoxy)pyridin-2-amine
CID 80874556
6-(2-bromophenoxy)-5-nitropyridin-2-amine
CID 80859645
6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine
CID 80880828
6-(4-bromo-2-fluorophenoxy)-5-nitropyridin-2-amine
CID 80881860
3-(5-methyl-2-nitrophenoxy)-2-nitroaniline
CID 80879136
2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine
CID 81131436
2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine
CID 133476936
6-(3-chlorophenoxy)-5-nitropyridin-2-amine
CID 80869741
5-bromo-4-(5-methyl-2-nitrophenoxy)pyrimidine
CID 66320498
3,5-dibromo-2-(5-methyl-2-nitrophenoxy)pyridine
CID 113413888

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine?
The IUPAC name of 6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine (CID 80879134) is 6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine?
The canonical SMILES for 6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine is Cc1ccc([N+](=O)[O-])c(Oc2nc(N)ccc2[N+](=O)[O-])c1.
What is the InChIKey of 6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine?
The InChIKey is BDZHGQDCJMIOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O5/c1-7-2-3-8(15(17)18)10(6-7)21-12-9(16(19)20)4-5-11(13)14-12/h2-6H,1H3,(H2,13,14).
What are the key properties of 6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine?
6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine has a molecular weight of 290.24 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine is sourced from PubChem (CID 80879134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).