5-chloro-2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline

C13H8Cl2FN5 — CID 61377400

IUPAC5-chloro-2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline
SMILESNc1cc(Cl)ccc1-c1nnnn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H8Cl2FN5/c14-7-1-3-9(12(17)5-7)13-18-19-20-21(13)8-2-4-11(16)10(15)6-8/h1-6H,17H2
InChIKeyMXEZBQISYHPQOZ-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.36
Rot. Bonds2

About 5-chloro-2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline

5-chloro-2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline (PubChem CID 61377400) has the molecular formula C13H8Cl2FN5 and a molecular weight of 324.15 g/mol. Its IUPAC name is 5-chloro-2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name5-chloro-2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline
PubChem CID61377400
Molecular FormulaC13H8Cl2FN5
Molecular Weight324.15 g/mol
Exact Mass323.01
IUPAC Name5-chloro-2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline
SMILESNc1cc(Cl)ccc1-c1nnnn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H8Cl2FN5/c14-7-1-3-9(12(17)5-7)13-18-19-20-21(13)8-2-4-11(16)10(15)6-8/h1-6H,17H2
InChIKeyMXEZBQISYHPQOZ-UHFFFAOYSA-N
XLogP3.36
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[1-(3-chlorophenyl)tetrazol-5-yl]aniline
CID 61352846
2-chloro-6-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline
CID 115547943
5-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 61377778
2-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-4-chloroaniline
CID 107616313
5-chloro-2-[1-(3-ethylphenyl)tetrazol-5-yl]aniline
CID 61376790
2-[1-(4-bromo-3-fluorophenyl)tetrazol-5-yl]-4-chloroaniline
CID 65436622
3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-4-fluoroaniline
CID 107616316
5-chloro-2-[1-(2-chloro-6-methylphenyl)tetrazol-5-yl]aniline
CID 66251426
2-chloro-3-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]aniline
CID 115936231
2-chloro-6-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]aniline
CID 115547966
5-chloro-2-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61378359
2-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]aniline
CID 61353022

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline?
The IUPAC name of 5-chloro-2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline (CID 61377400) is 5-chloro-2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 5-chloro-2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 5-chloro-2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline is Nc1cc(Cl)ccc1-c1nnnn1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 5-chloro-2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline?
The InChIKey is MXEZBQISYHPQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FN5/c14-7-1-3-9(12(17)5-7)13-18-19-20-21(13)8-2-4-11(16)10(15)6-8/h1-6H,17H2.
What are the key properties of 5-chloro-2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline?
5-chloro-2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline has a molecular weight of 324.15 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61377400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).