5-(3-chloro-5-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium

C8H6ClFN4 — CID 59526774

IUPAC5-(3-chloro-5-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium
SMILES[CH2-][NH+]1N=NC(c2cc(F)cc(Cl)c2)=N1
InChIInChI=1S/C8H6ClFN4/c1-14-12-8(11-13-14)5-2-6(9)4-7(10)3-5/h2-4,14H,1H2
InChIKeyKRGILZMKWGBTBQ-UHFFFAOYSA-N
MW212.62 g/mol
LogP1.20
Rot. Bonds1

About 5-(3-chloro-5-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium

5-(3-chloro-5-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium (PubChem CID 59526774) has the molecular formula C8H6ClFN4 and a molecular weight of 212.62 g/mol. Its IUPAC name is 5-(3-chloro-5-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium.

Molecular Properties

Compound Name5-(3-chloro-5-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium
PubChem CID59526774
Molecular FormulaC8H6ClFN4
Molecular Weight212.62 g/mol
Exact Mass212.03
IUPAC Name5-(3-chloro-5-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium
SMILES[CH2-][NH+]1N=NC(c2cc(F)cc(Cl)c2)=N1
InChIInChI=1S/C8H6ClFN4/c1-14-12-8(11-13-14)5-2-6(9)4-7(10)3-5/h2-4,14H,1H2
InChIKeyKRGILZMKWGBTBQ-UHFFFAOYSA-N
XLogP1.20
TPSA41.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.62
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-(4-Chlorophenyl)-6-(heptafluoropropyl)-1,4-dihydro-1,2,4,5-tetrazine
CID 71363505
3-(4-Chlorophenyl)-6-(pentafluoroethyl)-1,4-dihydro-1,2,4,5-tetrazine
CID 71363506
3-Chloro-4-fluoro-benzamidine
CID 2730161
5-Chloro-2-fluorobenzimidamide
CID 21930979
3-Chloro-5-fluorobenzene-1-carboximidamide
CID 53403977
3-Chloro-2-fluorobenzamidine
CID 53417518
5-(2,6-difluorophenyl)-2-methanidyl-2H-tetrazol-2-ium
CID 59526709
5-(3,4-difluorophenyl)-2-methanidyl-2H-tetrazol-2-ium
CID 59526712
5-[(2-chloro-6-fluorophenyl)methyl]-2-methanidyl-2H-tetrazol-2-ium
CID 59526726
5-(3-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium
CID 59526730
5-(4-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium
CID 59526748
5-(2-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium
CID 59526790

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium?
The IUPAC name of 5-(3-chloro-5-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium (CID 59526774) is 5-(3-chloro-5-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium.
What is the SMILES notation for 5-(3-chloro-5-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium?
The canonical SMILES for 5-(3-chloro-5-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium is [CH2-][NH+]1N=NC(c2cc(F)cc(Cl)c2)=N1.
What is the InChIKey of 5-(3-chloro-5-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium?
The InChIKey is KRGILZMKWGBTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN4/c1-14-12-8(11-13-14)5-2-6(9)4-7(10)3-5/h2-4,14H,1H2.
What are the key properties of 5-(3-chloro-5-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium?
5-(3-chloro-5-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium has a molecular weight of 212.62 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-5-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium is sourced from PubChem (CID 59526774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).