1-methyl-5-nitro-2-phenylindazol-3-one

C14H11N3O3 — CID 70694534

IUPAC1-methyl-5-nitro-2-phenylindazol-3-one
SMILESCn1c2ccc([N+](=O)[O-])cc2c(=O)n1-c1ccccc1
InChIInChI=1S/C14H11N3O3/c1-15-13-8-7-11(17(19)20)9-12(13)14(18)16(15)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyDYPKMTZVVLPMGX-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.24
Rot. Bonds2

About 1-methyl-5-nitro-2-phenylindazol-3-one

1-methyl-5-nitro-2-phenylindazol-3-one (PubChem CID 70694534) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-methyl-5-nitro-2-phenylindazol-3-one.

Molecular Properties

Compound Name1-methyl-5-nitro-2-phenylindazol-3-one
PubChem CID70694534
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name1-methyl-5-nitro-2-phenylindazol-3-one
SMILESCn1c2ccc([N+](=O)[O-])cc2c(=O)n1-c1ccccc1
InChIInChI=1S/C14H11N3O3/c1-15-13-8-7-11(17(19)20)9-12(13)14(18)16(15)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyDYPKMTZVVLPMGX-UHFFFAOYSA-N
XLogP2.24
TPSA70.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-nitro-2-phenylindazol-3-one?
The IUPAC name of 1-methyl-5-nitro-2-phenylindazol-3-one (CID 70694534) is 1-methyl-5-nitro-2-phenylindazol-3-one.
What is the SMILES notation for 1-methyl-5-nitro-2-phenylindazol-3-one?
The canonical SMILES for 1-methyl-5-nitro-2-phenylindazol-3-one is Cn1c2ccc([N+](=O)[O-])cc2c(=O)n1-c1ccccc1.
What is the InChIKey of 1-methyl-5-nitro-2-phenylindazol-3-one?
The InChIKey is DYPKMTZVVLPMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-15-13-8-7-11(17(19)20)9-12(13)14(18)16(15)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 1-methyl-5-nitro-2-phenylindazol-3-one?
1-methyl-5-nitro-2-phenylindazol-3-one has a molecular weight of 269.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-nitro-2-phenylindazol-3-one is sourced from PubChem (CID 70694534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).