2-[(2-chloro-6-fluorophenyl)methyl]-5-(2-chlorophenyl)tetrazole

C14H9Cl2FN4 — CID 4809389

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-5-(2-chlorophenyl)tetrazole
SMILESFc1cccc(Cl)c1Cn1nnc(-c2ccccc2Cl)n1
InChIInChI=1S/C14H9Cl2FN4/c15-11-5-2-1-4-9(11)14-18-20-21(19-14)8-10-12(16)6-3-7-13(10)17/h1-7H,8H2
InChIKeyJAZBUGOEMGRSQW-UHFFFAOYSA-N
MW323.16 g/mol
LogP3.83
Rot. Bonds3

About 2-[(2-chloro-6-fluorophenyl)methyl]-5-(2-chlorophenyl)tetrazole

2-[(2-chloro-6-fluorophenyl)methyl]-5-(2-chlorophenyl)tetrazole (PubChem CID 4809389) has the molecular formula C14H9Cl2FN4 and a molecular weight of 323.16 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-5-(2-chlorophenyl)tetrazole.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-5-(2-chlorophenyl)tetrazole
PubChem CID4809389
Molecular FormulaC14H9Cl2FN4
Molecular Weight323.16 g/mol
Exact Mass322.02
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-5-(2-chlorophenyl)tetrazole
SMILESFc1cccc(Cl)c1Cn1nnc(-c2ccccc2Cl)n1
InChIInChI=1S/C14H9Cl2FN4/c15-11-5-2-1-4-9(11)14-18-20-21(19-14)8-10-12(16)6-3-7-13(10)17/h1-7H,8H2
InChIKeyJAZBUGOEMGRSQW-UHFFFAOYSA-N
XLogP3.83
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-5-(2-chlorophenyl)tetrazole
CID 4809386
5-(2-chlorophenyl)-2-[(3-methylphenyl)methyl]tetrazole
CID 7702797
3-chloro-2-[(5-phenyltetrazol-2-yl)methyl]aniline
CID 63747473
5-(2-chlorophenyl)-2-(2-phenylethyl)tetrazole
CID 8685521
(2-chloro-6-fluorophenyl)methyl-methyl-[(5-phenyltetrazol-2-yl)methyl]azanium
CID 9117967
2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate
CID 6922149
5-(2-chlorophenyl)-2-(3-phenylpropyl)tetrazole
CID 56974037
1-benzyl-4-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]piperazine
CID 17428992
2-[5-(2-fluorophenyl)tetrazol-2-yl]ethanamine;hydrochloride
CID 154856464
6-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 714806
2-[(2-chloro-6-fluorophenyl)methyl]-6-(2-fluorophenyl)pyridazin-3-one
CID 51044457
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-5-(2-chlorophenyl)tetrazole
CID 7564478

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-5-(2-chlorophenyl)tetrazole?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-5-(2-chlorophenyl)tetrazole (CID 4809389) is 2-[(2-chloro-6-fluorophenyl)methyl]-5-(2-chlorophenyl)tetrazole.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-5-(2-chlorophenyl)tetrazole?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-5-(2-chlorophenyl)tetrazole is Fc1cccc(Cl)c1Cn1nnc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-5-(2-chlorophenyl)tetrazole?
The InChIKey is JAZBUGOEMGRSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN4/c15-11-5-2-1-4-9(11)14-18-20-21(19-14)8-10-12(16)6-3-7-13(10)17/h1-7H,8H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-5-(2-chlorophenyl)tetrazole?
2-[(2-chloro-6-fluorophenyl)methyl]-5-(2-chlorophenyl)tetrazole has a molecular weight of 323.16 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-5-(2-chlorophenyl)tetrazole is sourced from PubChem (CID 4809389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).