[4-(5H-tetrazol-5-yl)phenyl]boronic acid

C7H7BN4O2 — CID 156656738

IUPAC[4-(5H-tetrazol-5-yl)phenyl]boronic acid
SMILESOB(O)c1ccc(C2N=NN=N2)cc1
InChIInChI=1S/C7H7BN4O2/c13-8(14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4,7,13-14H
InChIKeyFNVRIIBZLRLCBW-UHFFFAOYSA-N
MW189.97 g/mol
LogP0.20
Rot. Bonds2

About [4-(5H-tetrazol-5-yl)phenyl]boronic acid

[4-(5H-tetrazol-5-yl)phenyl]boronic acid (PubChem CID 156656738) has the molecular formula C7H7BN4O2 and a molecular weight of 189.97 g/mol. Its IUPAC name is [4-(5H-tetrazol-5-yl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(5H-tetrazol-5-yl)phenyl]boronic acid
PubChem CID156656738
Molecular FormulaC7H7BN4O2
Molecular Weight189.97 g/mol
Exact Mass190.07
IUPAC Name[4-(5H-tetrazol-5-yl)phenyl]boronic acid
SMILESOB(O)c1ccc(C2N=NN=N2)cc1
InChIInChI=1S/C7H7BN4O2/c13-8(14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4,7,13-14H
InChIKeyFNVRIIBZLRLCBW-UHFFFAOYSA-N
XLogP0.20
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.97
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[4-(4-fluorocyclohexyl)phenyl]boronic acid
CID 141461374
4-(5H-tetrazol-5-yl)benzene-1,2-diamine
CID 12803201
(4-aminophenyl)boronic acid
CID 2734615
[4-(1,1-dihydroxythian-4-yl)phenyl]boronic acid
CID 174056041
gold;(4-sulfanylphenyl)boronic acid
CID 175015636
ethane;(4-methylphenyl)boronic acid;1,4-xylene
CID 160827114
[4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]boronic acid
CID 99773063
[4-[(2R)-1,3-thiazolidin-2-yl]phenyl]boronic acid
CID 99738202
[4-[(2S)-1,3-thiazolidin-2-yl]phenyl]boronic acid
CID 99738203
CID 158561341
CID 158561341
(4-iodophenyl)boronic acid;molecular hydrogen
CID 160500107
3-phenyl-3H-diazirine
CID 10855430

Frequently Asked Questions

What is the IUPAC name of [4-(5H-tetrazol-5-yl)phenyl]boronic acid?
The IUPAC name of [4-(5H-tetrazol-5-yl)phenyl]boronic acid (CID 156656738) is [4-(5H-tetrazol-5-yl)phenyl]boronic acid.
What is the SMILES notation for [4-(5H-tetrazol-5-yl)phenyl]boronic acid?
The canonical SMILES for [4-(5H-tetrazol-5-yl)phenyl]boronic acid is OB(O)c1ccc(C2N=NN=N2)cc1.
What is the InChIKey of [4-(5H-tetrazol-5-yl)phenyl]boronic acid?
The InChIKey is FNVRIIBZLRLCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BN4O2/c13-8(14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4,7,13-14H.
What are the key properties of [4-(5H-tetrazol-5-yl)phenyl]boronic acid?
[4-(5H-tetrazol-5-yl)phenyl]boronic acid has a molecular weight of 189.97 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5H-tetrazol-5-yl)phenyl]boronic acid is sourced from PubChem (CID 156656738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).