ethyl 4,6-dichlorotriazolo[1,5-a]pyridine-5-carboxylate

C9H7Cl2N3O2 — CID 155128985

IUPACethyl 4,6-dichlorotriazolo[1,5-a]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(Cl)cn2nncc2c1Cl
InChIInChI=1S/C9H7Cl2N3O2/c1-2-16-9(15)7-5(10)4-14-6(8(7)11)3-12-13-14/h3-4H,2H2,1H3
InChIKeyGUYGGKOXTCSVSC-UHFFFAOYSA-N
MW260.08 g/mol
LogP2.21
Rot. Bonds2

About ethyl 4,6-dichlorotriazolo[1,5-a]pyridine-5-carboxylate

ethyl 4,6-dichlorotriazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 155128985) has the molecular formula C9H7Cl2N3O2 and a molecular weight of 260.08 g/mol. Its IUPAC name is ethyl 4,6-dichlorotriazolo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4,6-dichlorotriazolo[1,5-a]pyridine-5-carboxylate
PubChem CID155128985
Molecular FormulaC9H7Cl2N3O2
Molecular Weight260.08 g/mol
Exact Mass258.99
IUPAC Nameethyl 4,6-dichlorotriazolo[1,5-a]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(Cl)cn2nncc2c1Cl
InChIInChI=1S/C9H7Cl2N3O2/c1-2-16-9(15)7-5(10)4-14-6(8(7)11)3-12-13-14/h3-4H,2H2,1H3
InChIKeyGUYGGKOXTCSVSC-UHFFFAOYSA-N
XLogP2.21
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,6-dichlorotriazolo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of ethyl 4,6-dichlorotriazolo[1,5-a]pyridine-5-carboxylate (CID 155128985) is ethyl 4,6-dichlorotriazolo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4,6-dichlorotriazolo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4,6-dichlorotriazolo[1,5-a]pyridine-5-carboxylate is CCOC(=O)c1c(Cl)cn2nncc2c1Cl.
What is the InChIKey of ethyl 4,6-dichlorotriazolo[1,5-a]pyridine-5-carboxylate?
The InChIKey is GUYGGKOXTCSVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O2/c1-2-16-9(15)7-5(10)4-14-6(8(7)11)3-12-13-14/h3-4H,2H2,1H3.
What are the key properties of ethyl 4,6-dichlorotriazolo[1,5-a]pyridine-5-carboxylate?
ethyl 4,6-dichlorotriazolo[1,5-a]pyridine-5-carboxylate has a molecular weight of 260.08 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,6-dichlorotriazolo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 155128985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).