(2-amino-5-nitrophenyl)-phenylmethanone

C13H10N2O3 — CID 15681

IUPAC(2-amino-5-nitrophenyl)-phenylmethanone
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1
InChIInChI=1S/C13H10N2O3/c14-12-7-6-10(15(17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H,14H2
InChIKeyPZPZDEIASIKHPY-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.41
Rot. Bonds3

About (2-amino-5-nitrophenyl)-phenylmethanone

(2-amino-5-nitrophenyl)-phenylmethanone (PubChem CID 15681) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is (2-amino-5-nitrophenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-amino-5-nitrophenyl)-phenylmethanone
PubChem CID15681
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name(2-amino-5-nitrophenyl)-phenylmethanone
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1
InChIInChI=1S/C13H10N2O3/c14-12-7-6-10(15(17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H,14H2
InChIKeyPZPZDEIASIKHPY-UHFFFAOYSA-N
XLogP2.41
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-nitrophenyl)-phenylmethanone?
The IUPAC name of (2-amino-5-nitrophenyl)-phenylmethanone (CID 15681) is (2-amino-5-nitrophenyl)-phenylmethanone.
What is the SMILES notation for (2-amino-5-nitrophenyl)-phenylmethanone?
The canonical SMILES for (2-amino-5-nitrophenyl)-phenylmethanone is Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1.
What is the InChIKey of (2-amino-5-nitrophenyl)-phenylmethanone?
The InChIKey is PZPZDEIASIKHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c14-12-7-6-10(15(17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H,14H2.
What are the key properties of (2-amino-5-nitrophenyl)-phenylmethanone?
(2-amino-5-nitrophenyl)-phenylmethanone has a molecular weight of 242.23 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-nitrophenyl)-phenylmethanone is sourced from PubChem (CID 15681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).