3-methoxy-5-nitro-1-phenylindazole

C14H11N3O3 — CID 71454880

IUPAC3-methoxy-5-nitro-1-phenylindazole
SMILESCOc1nn(-c2ccccc2)c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C14H11N3O3/c1-20-14-12-9-11(17(18)19)7-8-13(12)16(15-14)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyQZMAYMKQWSDSET-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.94
Rot. Bonds3

About 3-methoxy-5-nitro-1-phenylindazole

3-methoxy-5-nitro-1-phenylindazole (PubChem CID 71454880) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-methoxy-5-nitro-1-phenylindazole.

Molecular Properties

Compound Name3-methoxy-5-nitro-1-phenylindazole
PubChem CID71454880
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name3-methoxy-5-nitro-1-phenylindazole
SMILESCOc1nn(-c2ccccc2)c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C14H11N3O3/c1-20-14-12-9-11(17(18)19)7-8-13(12)16(15-14)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyQZMAYMKQWSDSET-UHFFFAOYSA-N
XLogP2.94
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.94
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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Related Compounds

2-(4-methoxyphenyl)-6-nitro-2H-indazole
CID 622831
N,N-dimethyl-3-(1-phenylindazol-3-yl)oxypropan-1-amine
CID 200264
1-Benzyl-3-benzyloxy-5-nitro-indazole
CID 386338
5-Nitro-3-pentoxy-1-pentylindazole
CID 51357316
1-Methyl-3-(naphthalen-1-ylmethoxy)-5-nitroindazole
CID 51357318
3-[(4-Methoxyphenyl)methoxy]-5-nitro-1-pentylindazole
CID 51357600
3-(Naphthalen-2-ylmethoxy)-5-nitro-1-propylindazole
CID 51357867
1-Methyl-5-nitro-3-phenylmethoxyindazole
CID 9965596
2-(2-Benzyl-5-nitroindazol-3-yl)oxyethanol
CID 127028227
3-Methoxy-2-propan-2-ylindazole
CID 11600822
CID 76328790
CID 76328790
2-Butyl-3-methoxyindazole
CID 118717007

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-nitro-1-phenylindazole?
The IUPAC name of 3-methoxy-5-nitro-1-phenylindazole (CID 71454880) is 3-methoxy-5-nitro-1-phenylindazole.
What is the SMILES notation for 3-methoxy-5-nitro-1-phenylindazole?
The canonical SMILES for 3-methoxy-5-nitro-1-phenylindazole is COc1nn(-c2ccccc2)c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 3-methoxy-5-nitro-1-phenylindazole?
The InChIKey is QZMAYMKQWSDSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-20-14-12-9-11(17(18)19)7-8-13(12)16(15-14)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 3-methoxy-5-nitro-1-phenylindazole?
3-methoxy-5-nitro-1-phenylindazole has a molecular weight of 269.26 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-nitro-1-phenylindazole is sourced from PubChem (CID 71454880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).