5-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]tetrazole

C14H10BrClN4 — CID 9421897

IUPAC5-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]tetrazole
SMILESClc1ccccc1Cn1nnnc1-c1ccc(Br)cc1
InChIInChI=1S/C14H10BrClN4/c15-12-7-5-10(6-8-12)14-17-18-19-20(14)9-11-3-1-2-4-13(11)16/h1-8H,9H2
InChIKeyCLDBIVITLUHBCX-UHFFFAOYSA-N
MW349.62 g/mol
LogP3.80
Rot. Bonds3

About 5-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]tetrazole

5-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]tetrazole (PubChem CID 9421897) has the molecular formula C14H10BrClN4 and a molecular weight of 349.62 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]tetrazole
PubChem CID9421897
Molecular FormulaC14H10BrClN4
Molecular Weight349.62 g/mol
Exact Mass347.98
IUPAC Name5-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]tetrazole
SMILESClc1ccccc1Cn1nnnc1-c1ccc(Br)cc1
InChIInChI=1S/C14H10BrClN4/c15-12-7-5-10(6-8-12)14-17-18-19-20(14)9-11-3-1-2-4-13(11)16/h1-8H,9H2
InChIKeyCLDBIVITLUHBCX-UHFFFAOYSA-N
XLogP3.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]aniline
CID 61354425
4-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]aniline
CID 61353401
[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]methanamine
CID 62736131
2-chloro-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline
CID 61378377
4-[[5-(4-bromophenyl)tetrazol-1-yl]methyl]-2,6-dimethylphenol
CID 3025580
3-[1-[(2-bromophenyl)methyl]tetrazol-5-yl]-4-chloroaniline
CID 61414414
[4-(1-benzyltetrazol-5-yl)phenyl]methanamine
CID 82228443
5-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-2-methylaniline
CID 61377583
[1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol
CID 94943250
3-[1-[(2-bromophenyl)methyl]tetrazol-5-yl]-2-chloroaniline
CID 115936227
4-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]aniline
CID 61410344
5-(1-benzyltetrazol-5-yl)-2-bromoaniline
CID 61354077

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]tetrazole?
The IUPAC name of 5-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]tetrazole (CID 9421897) is 5-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]tetrazole.
What is the SMILES notation for 5-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]tetrazole?
The canonical SMILES for 5-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]tetrazole is Clc1ccccc1Cn1nnnc1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]tetrazole?
The InChIKey is CLDBIVITLUHBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN4/c15-12-7-5-10(6-8-12)14-17-18-19-20(14)9-11-3-1-2-4-13(11)16/h1-8H,9H2.
What are the key properties of 5-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]tetrazole?
5-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]tetrazole has a molecular weight of 349.62 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]tetrazole is sourced from PubChem (CID 9421897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).