2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole

C15H12ClFN4 — CID 723279

IUPAC2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole
SMILESCc1ccccc1-c1nnn(Cc2ccc(F)cc2Cl)n1
InChIInChI=1S/C15H12ClFN4/c1-10-4-2-3-5-13(10)15-18-20-21(19-15)9-11-6-7-12(17)8-14(11)16/h2-8H,9H2,1H3
InChIKeyAASYFAORRVLNCI-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.49
Rot. Bonds3

About 2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole

2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole (PubChem CID 723279) has the molecular formula C15H12ClFN4 and a molecular weight of 302.74 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole
PubChem CID723279
Molecular FormulaC15H12ClFN4
Molecular Weight302.74 g/mol
Exact Mass302.07
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole
SMILESCc1ccccc1-c1nnn(Cc2ccc(F)cc2Cl)n1
InChIInChI=1S/C15H12ClFN4/c1-10-4-2-3-5-13(10)15-18-20-21(19-15)9-11-6-7-12(17)8-14(11)16/h2-8H,9H2,1H3
InChIKeyAASYFAORRVLNCI-UHFFFAOYSA-N
XLogP3.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole (CID 723279) is 2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole is Cc1ccccc1-c1nnn(Cc2ccc(F)cc2Cl)n1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole?
The InChIKey is AASYFAORRVLNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4/c1-10-4-2-3-5-13(10)15-18-20-21(19-15)9-11-6-7-12(17)8-14(11)16/h2-8H,9H2,1H3.
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole?
2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole has a molecular weight of 302.74 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)tetrazole is sourced from PubChem (CID 723279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).