(5-phenyltetrazolo[1,5-a]pyridin-6-yl) hypoiodite

C11H7IN4O — CID 155206289

IUPAC(5-phenyltetrazolo[1,5-a]pyridin-6-yl) hypoiodite
SMILESIOc1ccc2nnnn2c1-c1ccccc1
InChIInChI=1S/C11H7IN4O/c12-17-9-6-7-10-13-14-15-16(10)11(9)8-4-2-1-3-5-8/h1-7H
InChIKeyNKBHGCRMLZPWJZ-UHFFFAOYSA-N
MW338.11 g/mol
LogP2.52
Rot. Bonds2

About (5-phenyltetrazolo[1,5-a]pyridin-6-yl) hypoiodite

(5-phenyltetrazolo[1,5-a]pyridin-6-yl) hypoiodite (PubChem CID 155206289) has the molecular formula C11H7IN4O and a molecular weight of 338.11 g/mol. Its IUPAC name is (5-phenyltetrazolo[1,5-a]pyridin-6-yl) hypoiodite.

Molecular Properties

Compound Name(5-phenyltetrazolo[1,5-a]pyridin-6-yl) hypoiodite
PubChem CID155206289
Molecular FormulaC11H7IN4O
Molecular Weight338.11 g/mol
Exact Mass337.97
IUPAC Name(5-phenyltetrazolo[1,5-a]pyridin-6-yl) hypoiodite
SMILESIOc1ccc2nnnn2c1-c1ccccc1
InChIInChI=1S/C11H7IN4O/c12-17-9-6-7-10-13-14-15-16(10)11(9)8-4-2-1-3-5-8/h1-7H
InChIKeyNKBHGCRMLZPWJZ-UHFFFAOYSA-N
XLogP2.52
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.11
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-phenyltetrazolo[1,5-c]quinazoline
CID 613079
5-(oxiran-2-yl)tetrazolo[1,5-a]pyridine
CID 19831989
6-(3,4-dimethoxyphenyl)-2-methyl-3-phenylimidazo[1,2-b]pyridazine
CID 141201904
1,5,6,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
CID 119098597
7-methyl-5-phenyltetrazolo[1,5-a]pyrimidine
CID 745901
(4,5-diphenyltriazol-1-yl)methanol
CID 174976406
1-cyclohexyl-4,5-diphenyltriazole
CID 165349356
5-[2,6-dimethoxy-5-(3-methyl-5-phenyltriazol-4-yl)naphthalen-1-yl]-1-methyl-4-phenyltriazole
CID 154717351
1,1'-biphenyl;indigane
CID 174363765
5-nitrotetrazolo[1,5-a]pyridine
CID 19108230
tetrazolo[1,5-a]quinoline-9-carbaldehyde
CID 96621179
tetrazolo[1,5-a]quinolin-9-ylmethanol
CID 115021916

Frequently Asked Questions

What is the IUPAC name of (5-phenyltetrazolo[1,5-a]pyridin-6-yl) hypoiodite?
The IUPAC name of (5-phenyltetrazolo[1,5-a]pyridin-6-yl) hypoiodite (CID 155206289) is (5-phenyltetrazolo[1,5-a]pyridin-6-yl) hypoiodite.
What is the SMILES notation for (5-phenyltetrazolo[1,5-a]pyridin-6-yl) hypoiodite?
The canonical SMILES for (5-phenyltetrazolo[1,5-a]pyridin-6-yl) hypoiodite is IOc1ccc2nnnn2c1-c1ccccc1.
What is the InChIKey of (5-phenyltetrazolo[1,5-a]pyridin-6-yl) hypoiodite?
The InChIKey is NKBHGCRMLZPWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7IN4O/c12-17-9-6-7-10-13-14-15-16(10)11(9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of (5-phenyltetrazolo[1,5-a]pyridin-6-yl) hypoiodite?
(5-phenyltetrazolo[1,5-a]pyridin-6-yl) hypoiodite has a molecular weight of 338.11 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyltetrazolo[1,5-a]pyridin-6-yl) hypoiodite is sourced from PubChem (CID 155206289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).