1-(2-methoxy-5-nitrophenyl)tetrazole

C8H7N5O3 — CID 702207

IUPAC1-(2-methoxy-5-nitrophenyl)tetrazole
SMILESCOc1ccc([N+](=O)[O-])cc1-n1cnnn1
InChIInChI=1S/C8H7N5O3/c1-16-8-3-2-6(13(14)15)4-7(8)12-5-9-10-11-12/h2-5H,1H3
InChIKeyUYNDQEVLKVMNPY-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.58
Rot. Bonds3

About 1-(2-methoxy-5-nitrophenyl)tetrazole

1-(2-methoxy-5-nitrophenyl)tetrazole (PubChem CID 702207) has the molecular formula C8H7N5O3 and a molecular weight of 221.18 g/mol. Its IUPAC name is 1-(2-methoxy-5-nitrophenyl)tetrazole.

Molecular Properties

Compound Name1-(2-methoxy-5-nitrophenyl)tetrazole
PubChem CID702207
Molecular FormulaC8H7N5O3
Molecular Weight221.18 g/mol
Exact Mass221.05
IUPAC Name1-(2-methoxy-5-nitrophenyl)tetrazole
SMILESCOc1ccc([N+](=O)[O-])cc1-n1cnnn1
InChIInChI=1S/C8H7N5O3/c1-16-8-3-2-6(13(14)15)4-7(8)12-5-9-10-11-12/h2-5H,1H3
InChIKeyUYNDQEVLKVMNPY-UHFFFAOYSA-N
XLogP0.58
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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CID 16193800
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CID 1611627
Cyclopropanecarboxamide, N-[4-methoxy-3-(1H-tetrazol-1-yl)phenyl]-(9CI)
CID 651903
1-(2,4-Dimethoxyphenyl)tetrazole
CID 673029
4-nitro-2-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 1418906
1-(2-methoxyphenyl)-1H-tetrazole
CID 11615269
1-(4-ethoxyphenyl)-1H-tetrazole
CID 753609
1-(2-ethoxyphenyl)-1H-tetrazole
CID 23117961
1-(2-Methoxy-3,5-dinitrophenyl)-1,2,4-triazole
CID 102587296
1-(2-Methoxyphenyl)-1,2,4-triazole
CID 53415459
2-ethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 72126899

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-nitrophenyl)tetrazole?
The IUPAC name of 1-(2-methoxy-5-nitrophenyl)tetrazole (CID 702207) is 1-(2-methoxy-5-nitrophenyl)tetrazole.
What is the SMILES notation for 1-(2-methoxy-5-nitrophenyl)tetrazole?
The canonical SMILES for 1-(2-methoxy-5-nitrophenyl)tetrazole is COc1ccc([N+](=O)[O-])cc1-n1cnnn1.
What is the InChIKey of 1-(2-methoxy-5-nitrophenyl)tetrazole?
The InChIKey is UYNDQEVLKVMNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O3/c1-16-8-3-2-6(13(14)15)4-7(8)12-5-9-10-11-12/h2-5H,1H3.
What are the key properties of 1-(2-methoxy-5-nitrophenyl)tetrazole?
1-(2-methoxy-5-nitrophenyl)tetrazole has a molecular weight of 221.18 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-nitrophenyl)tetrazole is sourced from PubChem (CID 702207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).