5-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2H-tetrazole

C14H9BrClFN4O — CID 132593233

IUPAC5-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2H-tetrazole
SMILESFc1cccc(Cl)c1COc1ccc(-c2nn[nH]n2)cc1Br
InChIInChI=1S/C14H9BrClFN4O/c15-10-6-8(14-18-20-21-19-14)4-5-13(10)22-7-9-11(16)2-1-3-12(9)17/h1-6H,7H2,(H,18,19,20,21)
InChIKeyUKCLDCSZHSEQLV-UHFFFAOYSA-N
MW383.61 g/mol
LogP4.00
Rot. Bonds4

About 5-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2H-tetrazole

5-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2H-tetrazole (PubChem CID 132593233) has the molecular formula C14H9BrClFN4O and a molecular weight of 383.61 g/mol. Its IUPAC name is 5-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2H-tetrazole
PubChem CID132593233
Molecular FormulaC14H9BrClFN4O
Molecular Weight383.61 g/mol
Exact Mass381.96
IUPAC Name5-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2H-tetrazole
SMILESFc1cccc(Cl)c1COc1ccc(-c2nn[nH]n2)cc1Br
InChIInChI=1S/C14H9BrClFN4O/c15-10-6-8(14-18-20-21-19-14)4-5-13(10)22-7-9-11(16)2-1-3-12(9)17/h1-6H,7H2,(H,18,19,20,21)
InChIKeyUKCLDCSZHSEQLV-UHFFFAOYSA-N
XLogP4.00
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.61
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2H-tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole
CID 132593238
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707422
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63534231
5-[3-bromo-4-(2-methylpropoxy)phenyl]-2H-tetrazole
CID 23540974
5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole
CID 155154155
N-[[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22680259
5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593225
5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593229
5-bromo-3-[(2-chloro-6-fluorophenyl)methoxy]pyridin-2-amine
CID 21111493
2-(bromomethyl)-3-[(2-chloro-6-fluorophenyl)methoxy]-6-methylpyridine
CID 79168717
5-[4-[(2,6-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-2H-tetrazole
CID 132592894
1-chloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-3-fluorobenzene
CID 107691104

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2H-tetrazole (CID 132593233) is 5-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2H-tetrazole is Fc1cccc(Cl)c1COc1ccc(-c2nn[nH]n2)cc1Br.
What is the InChIKey of 5-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2H-tetrazole?
The InChIKey is UKCLDCSZHSEQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFN4O/c15-10-6-8(14-18-20-21-19-14)4-5-13(10)22-7-9-11(16)2-1-3-12(9)17/h1-6H,7H2,(H,18,19,20,21).
What are the key properties of 5-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2H-tetrazole?
5-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2H-tetrazole has a molecular weight of 383.61 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2H-tetrazole is sourced from PubChem (CID 132593233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).