7-methoxy-5-nitro-1H-indole

C9H8N2O3 — CID 10797804

IUPAC7-methoxy-5-nitro-1H-indole
SMILESCOc1cc([N+](=O)[O-])cc2cc[nH]c12
InChIInChI=1S/C9H8N2O3/c1-14-8-5-7(11(12)13)4-6-2-3-10-9(6)8/h2-5,10H,1H3
InChIKeyFPHHJNSWCMUVBR-UHFFFAOYSA-N
MW192.17 g/mol
LogP2.08
Rot. Bonds2

About 7-methoxy-5-nitro-1H-indole

7-methoxy-5-nitro-1H-indole (PubChem CID 10797804) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 7-methoxy-5-nitro-1H-indole.

Molecular Properties

Compound Name7-methoxy-5-nitro-1H-indole
PubChem CID10797804
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name7-methoxy-5-nitro-1H-indole
SMILESCOc1cc([N+](=O)[O-])cc2cc[nH]c12
InChIInChI=1S/C9H8N2O3/c1-14-8-5-7(11(12)13)4-6-2-3-10-9(6)8/h2-5,10H,1H3
InChIKeyFPHHJNSWCMUVBR-UHFFFAOYSA-N
XLogP2.08
TPSA68.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4,7-dimethoxy-5-nitro-1H-indole
CID 83822743
5-nitro-7-(4-phenylphenyl)-1H-indole
CID 90152990
methoxy-(7-methyl-1H-indol-5-yl)-oxoazanium
CID 89248896
2-methoxy-4-nitrobenzenethiol
CID 22148741
6,7-dimethoxy-8-nitro-2H-isoquinolin-1-one
CID 24971761
2,3-dimethoxy-5-nitrobenzoic acid
CID 12007954
2-methoxy-1-(2-methoxy-6-nitronaphthalen-1-yl)-6-nitronaphthalene
CID 71347660
2-methoxy-4-nitrophenol;phosphoric acid
CID 174688966
ethane;2-methoxy-4-nitrophenol
CID 91188946
2-amino-3-methoxy-5-nitrobenzenethiol
CID 71345154
2-amino-7-methoxy-5-nitro-1H-indole-3-carbonitrile
CID 166518053
7-methoxy-2-methyl-5-nitro-1H-indole-3-carboxylic acid
CID 155895736

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-nitro-1H-indole?
The IUPAC name of 7-methoxy-5-nitro-1H-indole (CID 10797804) is 7-methoxy-5-nitro-1H-indole.
What is the SMILES notation for 7-methoxy-5-nitro-1H-indole?
The canonical SMILES for 7-methoxy-5-nitro-1H-indole is COc1cc([N+](=O)[O-])cc2cc[nH]c12.
What is the InChIKey of 7-methoxy-5-nitro-1H-indole?
The InChIKey is FPHHJNSWCMUVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-14-8-5-7(11(12)13)4-6-2-3-10-9(6)8/h2-5,10H,1H3.
What are the key properties of 7-methoxy-5-nitro-1H-indole?
7-methoxy-5-nitro-1H-indole has a molecular weight of 192.17 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-nitro-1H-indole is sourced from PubChem (CID 10797804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).