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

C13H9ClFN5 — CID 61353022

IUPAC2-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]aniline
SMILESNc1ccccc1-c1nnnn1-c1cc(Cl)ccc1F
InChIInChI=1S/C13H9ClFN5/c14-8-5-6-10(15)12(7-8)20-13(17-18-19-20)9-3-1-2-4-11(9)16/h1-7H,16H2
InChIKeyQDOJWLAIVKIRRK-UHFFFAOYSA-N
MW289.70 g/mol
LogP2.70
Rot. Bonds2

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

2-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]aniline (PubChem CID 61353022) has the molecular formula C13H9ClFN5 and a molecular weight of 289.70 g/mol. Its IUPAC name is 2-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]aniline
PubChem CID61353022
Molecular FormulaC13H9ClFN5
Molecular Weight289.70 g/mol
Exact Mass289.05
IUPAC Name2-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]aniline
SMILESNc1ccccc1-c1nnnn1-c1cc(Cl)ccc1F
InChIInChI=1S/C13H9ClFN5/c14-8-5-6-10(15)12(7-8)20-13(17-18-19-20)9-3-1-2-4-11(9)16/h1-7H,16H2
InChIKeyQDOJWLAIVKIRRK-UHFFFAOYSA-N
XLogP2.70
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 52.70
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

2-chloro-3-[1-(2,5-difluorophenyl)tetrazol-5-yl]aniline
CID 115936164
2-[1-(2,4,5-trichlorophenyl)tetrazol-5-yl]aniline
CID 61351820
3-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]-4-methylaniline
CID 61352684
2-[1-(2,4,6-trichlorophenyl)tetrazol-5-yl]aniline
CID 61352823
5-chloro-2-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61378359
2-[1-(4-bromo-2-chlorophenyl)tetrazol-5-yl]aniline
CID 61353220
4-chloro-2-[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]aniline
CID 61352440
2-[1-(2-fluorophenyl)tetrazol-5-yl]-4-methylaniline
CID 65454704
2-[1-(4-fluorophenyl)tetrazol-5-yl]aniline
CID 61353418
3-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]-5-pyridin-3-ylpyridin-2-amine
CID 58179748
2-[1-(2-ethylphenyl)tetrazol-5-yl]aniline
CID 61353615
5-[1-(2-fluorophenyl)tetrazol-5-yl]-2,4-dimethylaniline
CID 102706309

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]aniline (CID 61353022) is 2-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]aniline is Nc1ccccc1-c1nnnn1-c1cc(Cl)ccc1F.
What is the InChIKey of 2-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]aniline?
The InChIKey is QDOJWLAIVKIRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN5/c14-8-5-6-10(15)12(7-8)20-13(17-18-19-20)9-3-1-2-4-11(9)16/h1-7H,16H2.
What are the key properties of 2-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]aniline?
2-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]aniline has a molecular weight of 289.70 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61353022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).