2-chloro-4-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]aniline

C14H11ClFN5 — CID 82779925

IUPAC2-chloro-4-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1ccc(F)cc1-n1nnnc1-c1ccc(N)c(Cl)c1
InChIInChI=1S/C14H11ClFN5/c1-8-2-4-10(16)7-13(8)21-14(18-19-20-21)9-3-5-12(17)11(15)6-9/h2-7H,17H2,1H3
InChIKeyJVIXOOKUICNZPD-UHFFFAOYSA-N
MW303.73 g/mol
LogP3.01
Rot. Bonds2

About 2-chloro-4-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]aniline

2-chloro-4-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]aniline (PubChem CID 82779925) has the molecular formula C14H11ClFN5 and a molecular weight of 303.73 g/mol. Its IUPAC name is 2-chloro-4-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-chloro-4-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]aniline
PubChem CID82779925
Molecular FormulaC14H11ClFN5
Molecular Weight303.73 g/mol
Exact Mass303.07
IUPAC Name2-chloro-4-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1ccc(F)cc1-n1nnnc1-c1ccc(N)c(Cl)c1
InChIInChI=1S/C14H11ClFN5/c1-8-2-4-10(16)7-13(8)21-14(18-19-20-21)9-3-5-12(17)11(15)6-9/h2-7H,17H2,1H3
InChIKeyJVIXOOKUICNZPD-UHFFFAOYSA-N
XLogP3.01
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.73
LogP ≤ 53.01
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-[1-(2-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 107531057
4-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]-2-fluoroaniline
CID 62681355
2-chloro-4-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]aniline
CID 82779532
2-chloro-4-[1-(2,4-dibromophenyl)tetrazol-5-yl]aniline
CID 82780083
2-bromo-5-[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]aniline
CID 107638824
2-methyl-4-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61378361
4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 107370344
2-chloro-4-[1-(1-methylpyrazol-3-yl)tetrazol-5-yl]aniline
CID 82787185
2-[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]-4-methylaniline
CID 65454889
5-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 61377778
2-[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]-3-methylaniline
CID 61352841
2-chloro-5-[1-(2,4-dimethylphenyl)tetrazol-5-yl]aniline
CID 61378528

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-chloro-4-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]aniline (CID 82779925) is 2-chloro-4-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-chloro-4-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-chloro-4-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]aniline is Cc1ccc(F)cc1-n1nnnc1-c1ccc(N)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]aniline?
The InChIKey is JVIXOOKUICNZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN5/c1-8-2-4-10(16)7-13(8)21-14(18-19-20-21)9-3-5-12(17)11(15)6-9/h2-7H,17H2,1H3.
What are the key properties of 2-chloro-4-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]aniline?
2-chloro-4-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]aniline has a molecular weight of 303.73 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 82779925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).