3-bromo-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyridine

C14H12BrN5O — CID 139773721

IUPAC3-bromo-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyridine
SMILESCOc1ccc(Cn2nnc(-c3cncc(Br)c3)n2)cc1
InChIInChI=1S/C14H12BrN5O/c1-21-13-4-2-10(3-5-13)9-20-18-14(17-19-20)11-6-12(15)8-16-7-11/h2-8H,9H2,1H3
InChIKeyJXDJSWWZABMSTQ-UHFFFAOYSA-N
MW346.19 g/mol
LogP2.55
Rot. Bonds4

About 3-bromo-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyridine

3-bromo-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyridine (PubChem CID 139773721) has the molecular formula C14H12BrN5O and a molecular weight of 346.19 g/mol. Its IUPAC name is 3-bromo-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyridine
PubChem CID139773721
Molecular FormulaC14H12BrN5O
Molecular Weight346.19 g/mol
Exact Mass345.02
IUPAC Name3-bromo-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyridine
SMILESCOc1ccc(Cn2nnc(-c3cncc(Br)c3)n2)cc1
InChIInChI=1S/C14H12BrN5O/c1-21-13-4-2-10(3-5-13)9-20-18-14(17-19-20)11-6-12(15)8-16-7-11/h2-8H,9H2,1H3
InChIKeyJXDJSWWZABMSTQ-UHFFFAOYSA-N
XLogP2.55
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,5-diiodophenyl)-2-[(4-methoxyphenyl)methyl]tetrazole
CID 139773840
5-(5-bromo-1-ethylpyrazol-4-yl)-2-[(4-methoxyphenyl)methyl]tetrazole
CID 90021074
5-(3-ethynylphenyl)-2-[(4-methoxyphenyl)methyl]tetrazole
CID 139773547
5-[5-bromo-1-(3,5-dichlorophenyl)pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole
CID 90029730
5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide
CID 27709879
5-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-2-[(4-methoxyphenyl)methyl]tetrazole
CID 139774000
5-[1-(2,4-dichlorophenyl)-3-iodopyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole
CID 90033989
5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole
CID 7490330
5-[1-(4-ethylphenyl)-5-iodopyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole
CID 90021371
2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]cyclopentene-1-carboxylic acid
CID 139773742
5-(4-bromophenyl)-2-[(4-methylsulfanylphenyl)methyl]tetrazole
CID 7490503
2-[(4-methoxyphenyl)methyl]benzotriazole
CID 3828598

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyridine?
The IUPAC name of 3-bromo-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyridine (CID 139773721) is 3-bromo-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyridine.
What is the SMILES notation for 3-bromo-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyridine?
The canonical SMILES for 3-bromo-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyridine is COc1ccc(Cn2nnc(-c3cncc(Br)c3)n2)cc1.
What is the InChIKey of 3-bromo-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyridine?
The InChIKey is JXDJSWWZABMSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O/c1-21-13-4-2-10(3-5-13)9-20-18-14(17-19-20)11-6-12(15)8-16-7-11/h2-8H,9H2,1H3.
What are the key properties of 3-bromo-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyridine?
3-bromo-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyridine has a molecular weight of 346.19 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyridine is sourced from PubChem (CID 139773721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).