6-(2-chloro-4-iodophenoxy)-[1,2,4]triazolo[1,5-a]pyridine

C12H7ClIN3O — CID 178068943

IUPAC6-(2-chloro-4-iodophenoxy)-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1cc(I)ccc1Oc1ccc2ncnn2c1
InChIInChI=1S/C12H7ClIN3O/c13-10-5-8(14)1-3-11(10)18-9-2-4-12-15-7-16-17(12)6-9/h1-7H
InChIKeyCUAMJLRMNHDEPF-UHFFFAOYSA-N
MW371.57 g/mol
LogP3.78
Rot. Bonds2

About 6-(2-chloro-4-iodophenoxy)-[1,2,4]triazolo[1,5-a]pyridine

6-(2-chloro-4-iodophenoxy)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 178068943) has the molecular formula C12H7ClIN3O and a molecular weight of 371.57 g/mol. Its IUPAC name is 6-(2-chloro-4-iodophenoxy)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-(2-chloro-4-iodophenoxy)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID178068943
Molecular FormulaC12H7ClIN3O
Molecular Weight371.57 g/mol
Exact Mass370.93
IUPAC Name6-(2-chloro-4-iodophenoxy)-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1cc(I)ccc1Oc1ccc2ncnn2c1
InChIInChI=1S/C12H7ClIN3O/c13-10-5-8(14)1-3-11(10)18-9-2-4-12-15-7-16-17(12)6-9/h1-7H
InChIKeyCUAMJLRMNHDEPF-UHFFFAOYSA-N
XLogP3.78
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(2-chloro-4-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine
CID 123894811
1-[3-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)anilino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]ethanone
CID 167459125
2,3-dichloro-4-(2-chloro-4-iodophenoxy)pyridine
CID 134813639
N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]-5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-6-methoxypyrido[3,4-d]pyrimidin-4-amine
CID 166739542
N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-fluoroquinazolin-4-amine
CID 91758367
3-chloro-4-(4-iodophenoxy)benzonitrile
CID 55221862
6-[2-(4-fluorophenoxy)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 162507375
6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 11535564
6-ethynyl-[1,2,4]triazolo[1,5-a]pyridine
CID 59095683
7-(4-tert-butyl-2-chlorophenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-chlorophenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-chlorophenoxy)-2-methylpyridine;6-(4-tert-butyl-2-chlorophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;7-(4-tert-butyl-2-methylphenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-methylphenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;6-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;methane
CID 160933622
6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine
CID 58139939
6-fluoro-7-iodo-[1,2,4]triazolo[1,5-a]pyridine
CID 162381856

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-iodophenoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-(2-chloro-4-iodophenoxy)-[1,2,4]triazolo[1,5-a]pyridine (CID 178068943) is 6-(2-chloro-4-iodophenoxy)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-(2-chloro-4-iodophenoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-(2-chloro-4-iodophenoxy)-[1,2,4]triazolo[1,5-a]pyridine is Clc1cc(I)ccc1Oc1ccc2ncnn2c1.
What is the InChIKey of 6-(2-chloro-4-iodophenoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is CUAMJLRMNHDEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClIN3O/c13-10-5-8(14)1-3-11(10)18-9-2-4-12-15-7-16-17(12)6-9/h1-7H.
What are the key properties of 6-(2-chloro-4-iodophenoxy)-[1,2,4]triazolo[1,5-a]pyridine?
6-(2-chloro-4-iodophenoxy)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 371.57 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-iodophenoxy)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 178068943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).