(2-methyl-4,6-dinitrophenyl) nitrate;platinum(2+)

C7H5N3O7Pt+2 — CID 87198165

IUPAC(2-methyl-4,6-dinitrophenyl) nitrate;platinum(2+)
SMILESCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O[N+](=O)[O-].[Pt+2]
InChIInChI=1S/C7H5N3O7.Pt/c1-4-2-5(8(11)12)3-6(9(13)14)7(4)17-10(15)16;/h2-3H,1H3;/q;+2
InChIKeyJCVZGZUPHHTMTP-UHFFFAOYSA-N
MW438.21 g/mol
LogP1.38
Rot. Bonds4

About (2-methyl-4,6-dinitrophenyl) nitrate;platinum(2+)

(2-methyl-4,6-dinitrophenyl) nitrate;platinum(2+) (PubChem CID 87198165) has the molecular formula C7H5N3O7Pt+2 and a molecular weight of 438.21 g/mol. Its IUPAC name is (2-methyl-4,6-dinitrophenyl) nitrate;platinum(2+).

Molecular Properties

Compound Name(2-methyl-4,6-dinitrophenyl) nitrate;platinum(2+)
PubChem CID87198165
Molecular FormulaC7H5N3O7Pt+2
Molecular Weight438.21 g/mol
Exact Mass437.98
IUPAC Name(2-methyl-4,6-dinitrophenyl) nitrate;platinum(2+)
SMILESCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O[N+](=O)[O-].[Pt+2]
InChIInChI=1S/C7H5N3O7.Pt/c1-4-2-5(8(11)12)3-6(9(13)14)7(4)17-10(15)16;/h2-3H,1H3;/q;+2
InChIKeyJCVZGZUPHHTMTP-UHFFFAOYSA-N
XLogP1.38
TPSA138.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.21
LogP ≤ 51.38
H-Bond Donors ≤ 50
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

azane;(2-methyl-4,6-dinitrophenyl) nitrate;platinum(2+)
CID 173080701
[2-methyl-4,6-bis[oxido(oxo)(15N)(15N)azaniumyl]phenyl] acetate
CID 10421833
1-methyl-3,5-dinitro-2-[(4-nitrophenyl)methoxy]benzene
CID 165364462
sodium;hydride;2-methyl-4,6-dinitrophenol
CID 173366474
cobalt(3+);tris(ethene-1,1,2,2-tetramine);(2-methyl-4,6-dinitrophenyl) 2,2-dichloroacetate
CID 173433720
2-methyl-1,3,5-trinitrobenzene
CID 87172748
2-methyl-4,6-dinitrobenzoic acid
CID 53400679
2-methyl-4,6-dinitrophenol;2-methyl-1,3,5-trinitrobenzene
CID 87639053
2-ethoxy-1,3-dimethyl-5-nitrobenzene
CID 13343824
ethane-1,2-diol;2-methyl-4,6-dinitrophenol
CID 87637947
2-methoxy-3,5-dinitrobenzoic acid
CID 606681
(2-acetyloxy-3,5-dinitrophenyl) acetate
CID 19389181

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4,6-dinitrophenyl) nitrate;platinum(2+)?
The IUPAC name of (2-methyl-4,6-dinitrophenyl) nitrate;platinum(2+) (CID 87198165) is (2-methyl-4,6-dinitrophenyl) nitrate;platinum(2+).
What is the SMILES notation for (2-methyl-4,6-dinitrophenyl) nitrate;platinum(2+)?
The canonical SMILES for (2-methyl-4,6-dinitrophenyl) nitrate;platinum(2+) is Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O[N+](=O)[O-].[Pt+2].
What is the InChIKey of (2-methyl-4,6-dinitrophenyl) nitrate;platinum(2+)?
The InChIKey is JCVZGZUPHHTMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O7.Pt/c1-4-2-5(8(11)12)3-6(9(13)14)7(4)17-10(15)16;/h2-3H,1H3;/q;+2.
What are the key properties of (2-methyl-4,6-dinitrophenyl) nitrate;platinum(2+)?
(2-methyl-4,6-dinitrophenyl) nitrate;platinum(2+) has a molecular weight of 438.21 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4,6-dinitrophenyl) nitrate;platinum(2+) is sourced from PubChem (CID 87198165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).