(2-methyl-3-nitrophenyl)-(2-methylphenyl)imino-oxidoazanium

C14H13N3O3 — CID 14528178

IUPAC(2-methyl-3-nitrophenyl)-(2-methylphenyl)imino-oxidoazanium
SMILESCc1ccccc1/N=[N+](\[O-])c1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C14H13N3O3/c1-10-6-3-4-7-12(10)15-16(18)13-8-5-9-14(11(13)2)17(19)20/h3-9H,1-2H3/b16-15-
InChIKeyDGRKNRALAYSGJP-NXVVXOECSA-N
MW271.28 g/mol
LogP4.14
Rot. Bonds3

About (2-methyl-3-nitrophenyl)-(2-methylphenyl)imino-oxidoazanium

(2-methyl-3-nitrophenyl)-(2-methylphenyl)imino-oxidoazanium (PubChem CID 14528178) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is (2-methyl-3-nitrophenyl)-(2-methylphenyl)imino-oxidoazanium.

Molecular Properties

Compound Name(2-methyl-3-nitrophenyl)-(2-methylphenyl)imino-oxidoazanium
PubChem CID14528178
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name(2-methyl-3-nitrophenyl)-(2-methylphenyl)imino-oxidoazanium
SMILESCc1ccccc1/N=[N+](\[O-])c1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C14H13N3O3/c1-10-6-3-4-7-12(10)15-16(18)13-8-5-9-14(11(13)2)17(19)20/h3-9H,1-2H3/b16-15-
InChIKeyDGRKNRALAYSGJP-NXVVXOECSA-N
XLogP4.14
TPSA81.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-nitro-2-phenylbenzene
CID 12733092
methyl-(2-methyl-3-nitrophenyl)diazene
CID 59633814
1-methyl-2,3-dinitrobenzene;1,2,3-trinitrobenzene
CID 19080539
1-methyl-2,3-dinitrobenzene;hydrate
CID 86587264
1-chloro-2-methyl-3-nitrobenzene
CID 6740
2-methyl-1-methylsulfonyl-3-nitrobenzene
CID 11746002
2-(4-chlorophenyl)-1-methyl-3-nitrobenzene
CID 139898701
N-(2-methyl-3-nitrophenyl)hydroxylamine
CID 5489549
N-bromo-2-methyl-6-nitroaniline
CID 140553007
(2-methyl-3-nitrophenyl)urea
CID 22416531
1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene
CID 10868487
1-methyl-2-nitro-3-(2-nitrophenoxy)benzene
CID 133391393

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-nitrophenyl)-(2-methylphenyl)imino-oxidoazanium?
The IUPAC name of (2-methyl-3-nitrophenyl)-(2-methylphenyl)imino-oxidoazanium (CID 14528178) is (2-methyl-3-nitrophenyl)-(2-methylphenyl)imino-oxidoazanium.
What is the SMILES notation for (2-methyl-3-nitrophenyl)-(2-methylphenyl)imino-oxidoazanium?
The canonical SMILES for (2-methyl-3-nitrophenyl)-(2-methylphenyl)imino-oxidoazanium is Cc1ccccc1/N=[N+](\[O-])c1cccc([N+](=O)[O-])c1C.
What is the InChIKey of (2-methyl-3-nitrophenyl)-(2-methylphenyl)imino-oxidoazanium?
The InChIKey is DGRKNRALAYSGJP-NXVVXOECSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-10-6-3-4-7-12(10)15-16(18)13-8-5-9-14(11(13)2)17(19)20/h3-9H,1-2H3/b16-15-.
What are the key properties of (2-methyl-3-nitrophenyl)-(2-methylphenyl)imino-oxidoazanium?
(2-methyl-3-nitrophenyl)-(2-methylphenyl)imino-oxidoazanium has a molecular weight of 271.28 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-nitrophenyl)-(2-methylphenyl)imino-oxidoazanium is sourced from PubChem (CID 14528178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).