1-(2,4-dichloro-5-methoxyphenyl)-5-(4-nitrophenyl)tetrazole

C14H9Cl2N5O3 — CID 1479514

IUPAC1-(2,4-dichloro-5-methoxyphenyl)-5-(4-nitrophenyl)tetrazole
SMILESCOc1cc(-n2nnnc2-c2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2N5O3/c1-24-13-7-12(10(15)6-11(13)16)20-14(17-18-19-20)8-2-4-9(5-3-8)21(22)23/h2-7H,1H3
InChIKeyXLVJFQPMLBWRRH-UHFFFAOYSA-N
MW366.16 g/mol
LogP3.55
Rot. Bonds4

About 1-(2,4-dichloro-5-methoxyphenyl)-5-(4-nitrophenyl)tetrazole

1-(2,4-dichloro-5-methoxyphenyl)-5-(4-nitrophenyl)tetrazole (PubChem CID 1479514) has the molecular formula C14H9Cl2N5O3 and a molecular weight of 366.16 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-methoxyphenyl)-5-(4-nitrophenyl)tetrazole.

Molecular Properties

Compound Name1-(2,4-dichloro-5-methoxyphenyl)-5-(4-nitrophenyl)tetrazole
PubChem CID1479514
Molecular FormulaC14H9Cl2N5O3
Molecular Weight366.16 g/mol
Exact Mass365.01
IUPAC Name1-(2,4-dichloro-5-methoxyphenyl)-5-(4-nitrophenyl)tetrazole
SMILESCOc1cc(-n2nnnc2-c2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2N5O3/c1-24-13-7-12(10(15)6-11(13)16)20-14(17-18-19-20)8-2-4-9(5-3-8)21(22)23/h2-7H,1H3
InChIKeyXLVJFQPMLBWRRH-UHFFFAOYSA-N
XLogP3.55
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.16
LogP ≤ 53.55
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-methoxyphenyl)-5-(4-nitrophenyl)tetrazole?
The IUPAC name of 1-(2,4-dichloro-5-methoxyphenyl)-5-(4-nitrophenyl)tetrazole (CID 1479514) is 1-(2,4-dichloro-5-methoxyphenyl)-5-(4-nitrophenyl)tetrazole.
What is the SMILES notation for 1-(2,4-dichloro-5-methoxyphenyl)-5-(4-nitrophenyl)tetrazole?
The canonical SMILES for 1-(2,4-dichloro-5-methoxyphenyl)-5-(4-nitrophenyl)tetrazole is COc1cc(-n2nnnc2-c2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-methoxyphenyl)-5-(4-nitrophenyl)tetrazole?
The InChIKey is XLVJFQPMLBWRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N5O3/c1-24-13-7-12(10(15)6-11(13)16)20-14(17-18-19-20)8-2-4-9(5-3-8)21(22)23/h2-7H,1H3.
What are the key properties of 1-(2,4-dichloro-5-methoxyphenyl)-5-(4-nitrophenyl)tetrazole?
1-(2,4-dichloro-5-methoxyphenyl)-5-(4-nitrophenyl)tetrazole has a molecular weight of 366.16 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-methoxyphenyl)-5-(4-nitrophenyl)tetrazole is sourced from PubChem (CID 1479514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).