5-[(2-bromophenyl)methyl]-5H-tetrazole

C8H7BrN4 — CID 174412815

IUPAC5-[(2-bromophenyl)methyl]-5H-tetrazole
SMILESBrc1ccccc1CC1N=NN=N1
InChIInChI=1S/C8H7BrN4/c9-7-4-2-1-3-6(7)5-8-10-12-13-11-8/h1-4,8H,5H2
InChIKeyCNWZITIKEPHHNY-UHFFFAOYSA-N
MW239.08 g/mol
LogP3.15
Rot. Bonds2

About 5-[(2-bromophenyl)methyl]-5H-tetrazole

5-[(2-bromophenyl)methyl]-5H-tetrazole (PubChem CID 174412815) has the molecular formula C8H7BrN4 and a molecular weight of 239.08 g/mol. Its IUPAC name is 5-[(2-bromophenyl)methyl]-5H-tetrazole.

Molecular Properties

Compound Name5-[(2-bromophenyl)methyl]-5H-tetrazole
PubChem CID174412815
Molecular FormulaC8H7BrN4
Molecular Weight239.08 g/mol
Exact Mass237.99
IUPAC Name5-[(2-bromophenyl)methyl]-5H-tetrazole
SMILESBrc1ccccc1CC1N=NN=N1
InChIInChI=1S/C8H7BrN4/c9-7-4-2-1-3-6(7)5-8-10-12-13-11-8/h1-4,8H,5H2
InChIKeyCNWZITIKEPHHNY-UHFFFAOYSA-N
XLogP3.15
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromophenyl)methyl]-1,3-dioxolane
CID 2756954
2-[5-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 115061603
(2S,3R,4S,5R)-2-[(2-bromophenyl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 66561949
4-bromo-1-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 70612738
3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol
CID 64907505
(2-bromophenyl)methyl-chloro-dimethylstannane
CID 71392872
2-(2-bromophenyl)acetyl bromide
CID 87290551
dibromo-bis[(2-bromophenyl)methyl]stannane
CID 166063809
4-[(2-bromophenyl)methyl]-6-methyl-3H-1,2,4-triazine-3-thiol
CID 174816667
N-[(2-bromophenyl)methyl]-1,1,1-trideuterio-N-(trideuteriomethyl)methanamine
CID 155291918
1-bromo-2-(methylsulfanylmethyl)benzene
CID 4108138
1,1-bis[(2-bromophenyl)methyl]hydrazine
CID 175527496

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenyl)methyl]-5H-tetrazole?
The IUPAC name of 5-[(2-bromophenyl)methyl]-5H-tetrazole (CID 174412815) is 5-[(2-bromophenyl)methyl]-5H-tetrazole.
What is the SMILES notation for 5-[(2-bromophenyl)methyl]-5H-tetrazole?
The canonical SMILES for 5-[(2-bromophenyl)methyl]-5H-tetrazole is Brc1ccccc1CC1N=NN=N1.
What is the InChIKey of 5-[(2-bromophenyl)methyl]-5H-tetrazole?
The InChIKey is CNWZITIKEPHHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4/c9-7-4-2-1-3-6(7)5-8-10-12-13-11-8/h1-4,8H,5H2.
What are the key properties of 5-[(2-bromophenyl)methyl]-5H-tetrazole?
5-[(2-bromophenyl)methyl]-5H-tetrazole has a molecular weight of 239.08 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenyl)methyl]-5H-tetrazole is sourced from PubChem (CID 174412815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).