2-chloro-5-[(Z)-2-ethoxyethenyl]-[1,2,4]triazolo[1,5-a]pyridine

C10H10ClN3O — CID 170627268

IUPAC2-chloro-5-[(Z)-2-ethoxyethenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCO/C=C\c1cccc2nc(Cl)nn12
InChIInChI=1S/C10H10ClN3O/c1-2-15-7-6-8-4-3-5-9-12-10(11)13-14(8)9/h3-7H,2H2,1H3/b7-6-
InChIKeyXOIOXFLGSXMEJK-SREVYHEPSA-N
MW223.66 g/mol
LogP2.39
Rot. Bonds3

About 2-chloro-5-[(Z)-2-ethoxyethenyl]-[1,2,4]triazolo[1,5-a]pyridine

2-chloro-5-[(Z)-2-ethoxyethenyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 170627268) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-chloro-5-[(Z)-2-ethoxyethenyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-chloro-5-[(Z)-2-ethoxyethenyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID170627268
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name2-chloro-5-[(Z)-2-ethoxyethenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCO/C=C\c1cccc2nc(Cl)nn12
InChIInChI=1S/C10H10ClN3O/c1-2-15-7-6-8-4-3-5-9-12-10(11)13-14(8)9/h3-7H,2H2,1H3/b7-6-
InChIKeyXOIOXFLGSXMEJK-SREVYHEPSA-N
XLogP2.39
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(Z)-2-ethoxyethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-chloro-5-[(Z)-2-ethoxyethenyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 170627268) is 2-chloro-5-[(Z)-2-ethoxyethenyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-chloro-5-[(Z)-2-ethoxyethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-chloro-5-[(Z)-2-ethoxyethenyl]-[1,2,4]triazolo[1,5-a]pyridine is CCO/C=C\c1cccc2nc(Cl)nn12.
What is the InChIKey of 2-chloro-5-[(Z)-2-ethoxyethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is XOIOXFLGSXMEJK-SREVYHEPSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-2-15-7-6-8-4-3-5-9-12-10(11)13-14(8)9/h3-7H,2H2,1H3/b7-6-.
What are the key properties of 2-chloro-5-[(Z)-2-ethoxyethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
2-chloro-5-[(Z)-2-ethoxyethenyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 223.66 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(Z)-2-ethoxyethenyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 170627268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).