1-(2-azido-4,6-dinitrophenyl)-N-phenylmethanimine

C13H8N6O4 — CID 15482968

IUPAC1-(2-azido-4,6-dinitrophenyl)-N-phenylmethanimine
SMILES[N-]=[N+]=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1/C=N/c1ccccc1
InChIInChI=1S/C13H8N6O4/c14-17-16-12-6-10(18(20)21)7-13(19(22)23)11(12)8-15-9-4-2-1-3-5-9/h1-8H/b15-8+
InChIKeyMRVXTJDRTAZJET-OVCLIPMQSA-N
MW312.25 g/mol
LogP4.20
Rot. Bonds5

About 1-(2-azido-4,6-dinitrophenyl)-N-phenylmethanimine

1-(2-azido-4,6-dinitrophenyl)-N-phenylmethanimine (PubChem CID 15482968) has the molecular formula C13H8N6O4 and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(2-azido-4,6-dinitrophenyl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(2-azido-4,6-dinitrophenyl)-N-phenylmethanimine
PubChem CID15482968
Molecular FormulaC13H8N6O4
Molecular Weight312.25 g/mol
Exact Mass312.06
IUPAC Name1-(2-azido-4,6-dinitrophenyl)-N-phenylmethanimine
SMILES[N-]=[N+]=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1/C=N/c1ccccc1
InChIInChI=1S/C13H8N6O4/c14-17-16-12-6-10(18(20)21)7-13(19(22)23)11(12)8-15-9-4-2-1-3-5-9/h1-8H/b15-8+
InChIKeyMRVXTJDRTAZJET-OVCLIPMQSA-N
XLogP4.20
TPSA147.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-nitrophenyl)-1-(2,4,6-trinitrophenyl)methanimine
CID 15466499
1-(2-azido-4,6-dinitrophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)methanimine
CID 11450762
2-(2-azido-4,6-dinitrophenyl)ethanol
CID 169326184
1-azido-3-nitrobenzene;hydrofluoride
CID 161250805
2-azido-1-nitro-4-phenylsulfanylbenzene
CID 169324784
(2-azidophenyl)-phenyldiazene;1-nitronaphthalene
CID 159930527
1-azido-4-tert-butyl-2-nitrobenzene
CID 151434378
1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine
CID 102486520
4-(4-azido-3-nitrophenyl)-2H-phthalazin-1-one
CID 169326568
cobalt;4-[(2-hydroxy-3,5-dinitrophenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol;4-[(2-hydroxyphenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol
CID 170525154
2-[(2,4-dinitrophenyl)methylideneamino]phenol
CID 102417808
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-3,5-dinitrophenol
CID 136823627

Frequently Asked Questions

What is the IUPAC name of 1-(2-azido-4,6-dinitrophenyl)-N-phenylmethanimine?
The IUPAC name of 1-(2-azido-4,6-dinitrophenyl)-N-phenylmethanimine (CID 15482968) is 1-(2-azido-4,6-dinitrophenyl)-N-phenylmethanimine.
What is the SMILES notation for 1-(2-azido-4,6-dinitrophenyl)-N-phenylmethanimine?
The canonical SMILES for 1-(2-azido-4,6-dinitrophenyl)-N-phenylmethanimine is [N-]=[N+]=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1/C=N/c1ccccc1.
What is the InChIKey of 1-(2-azido-4,6-dinitrophenyl)-N-phenylmethanimine?
The InChIKey is MRVXTJDRTAZJET-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H8N6O4/c14-17-16-12-6-10(18(20)21)7-13(19(22)23)11(12)8-15-9-4-2-1-3-5-9/h1-8H/b15-8+.
What are the key properties of 1-(2-azido-4,6-dinitrophenyl)-N-phenylmethanimine?
1-(2-azido-4,6-dinitrophenyl)-N-phenylmethanimine has a molecular weight of 312.25 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azido-4,6-dinitrophenyl)-N-phenylmethanimine is sourced from PubChem (CID 15482968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).