5-[4-fluoro-2-(4-methoxyphenyl)-5-nitrophenyl]-2H-tetrazole

C14H10FN5O3 — CID 138696663

IUPAC5-[4-fluoro-2-(4-methoxyphenyl)-5-nitrophenyl]-2H-tetrazole
SMILESCOc1ccc(-c2cc(F)c([N+](=O)[O-])cc2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H10FN5O3/c1-23-9-4-2-8(3-5-9)10-6-12(15)13(20(21)22)7-11(10)14-16-18-19-17-14/h2-7H,1H3,(H,16,17,18,19)
InChIKeyQOMRRAQHVMJVEW-UHFFFAOYSA-N
MW315.26 g/mol
LogP2.59
Rot. Bonds4

About 5-[4-fluoro-2-(4-methoxyphenyl)-5-nitrophenyl]-2H-tetrazole

5-[4-fluoro-2-(4-methoxyphenyl)-5-nitrophenyl]-2H-tetrazole (PubChem CID 138696663) has the molecular formula C14H10FN5O3 and a molecular weight of 315.26 g/mol. Its IUPAC name is 5-[4-fluoro-2-(4-methoxyphenyl)-5-nitrophenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-fluoro-2-(4-methoxyphenyl)-5-nitrophenyl]-2H-tetrazole
PubChem CID138696663
Molecular FormulaC14H10FN5O3
Molecular Weight315.26 g/mol
Exact Mass315.08
IUPAC Name5-[4-fluoro-2-(4-methoxyphenyl)-5-nitrophenyl]-2H-tetrazole
SMILESCOc1ccc(-c2cc(F)c([N+](=O)[O-])cc2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H10FN5O3/c1-23-9-4-2-8(3-5-9)10-6-12(15)13(20(21)22)7-11(10)14-16-18-19-17-14/h2-7H,1H3,(H,16,17,18,19)
InChIKeyQOMRRAQHVMJVEW-UHFFFAOYSA-N
XLogP2.59
TPSA106.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[4-fluoro-2-(4-methoxyphenyl)-5-nitrophenyl]-2H-tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-2-(4-methoxyphenyl)-5-nitrophenyl]-2H-tetrazole?
The IUPAC name of 5-[4-fluoro-2-(4-methoxyphenyl)-5-nitrophenyl]-2H-tetrazole (CID 138696663) is 5-[4-fluoro-2-(4-methoxyphenyl)-5-nitrophenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-fluoro-2-(4-methoxyphenyl)-5-nitrophenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-fluoro-2-(4-methoxyphenyl)-5-nitrophenyl]-2H-tetrazole is COc1ccc(-c2cc(F)c([N+](=O)[O-])cc2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-[4-fluoro-2-(4-methoxyphenyl)-5-nitrophenyl]-2H-tetrazole?
The InChIKey is QOMRRAQHVMJVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O3/c1-23-9-4-2-8(3-5-9)10-6-12(15)13(20(21)22)7-11(10)14-16-18-19-17-14/h2-7H,1H3,(H,16,17,18,19).
What are the key properties of 5-[4-fluoro-2-(4-methoxyphenyl)-5-nitrophenyl]-2H-tetrazole?
5-[4-fluoro-2-(4-methoxyphenyl)-5-nitrophenyl]-2H-tetrazole has a molecular weight of 315.26 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-2-(4-methoxyphenyl)-5-nitrophenyl]-2H-tetrazole is sourced from PubChem (CID 138696663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).