CID 58015538

C7H6N2O2 — CID 58015538

IUPAC—
SMILES[CH]Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C7H6N2O2/c1-8-6-3-2-4-7(5-6)9(10)11/h1-5,8H
InChIKeyDFMUZGKASZVBIK-UHFFFAOYSA-N
MW150.14 g/mol
LogP1.68
Rot. Bonds2

About CID 58015538

CID 58015538 (PubChem CID 58015538) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol.

Molecular Properties

Compound NameCID 58015538
PubChem CID58015538
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name—
SMILES[CH]Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C7H6N2O2/c1-8-6-3-2-4-7(5-6)9(10)11/h1-5,8H
InChIKeyDFMUZGKASZVBIK-UHFFFAOYSA-N
XLogP1.68
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 89107790
2-(3-nitrophenyl)-1,1-diphenylhydrazine
CID 155797950
3-nitro-N-[(4-nitrophenyl)methyl]aniline
CID 9274128
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CID 13200787
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
1-bromo-3-nitrobenzene;zinc
CID 159421870
1-(3-nitroanilino)propan-2-one
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Frequently Asked Questions

What is the IUPAC name of CID 58015538?
The IUPAC name of CID 58015538 (CID 58015538) is not available.
What is the SMILES notation for CID 58015538?
The canonical SMILES for CID 58015538 is [CH]Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of CID 58015538?
The InChIKey is DFMUZGKASZVBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c1-8-6-3-2-4-7(5-6)9(10)11/h1-5,8H.
What are the key properties of CID 58015538?
CID 58015538 has a molecular weight of 150.14 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58015538 is sourced from PubChem (CID 58015538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).