2-(3,5-dichloro-4-pyridinyl)-1-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone

C14H10Cl2N4O2 — CID 25114584

IUPAC2-(3,5-dichloro-4-pyridinyl)-1-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2ncnc12
InChIInChI=1S/C14H10Cl2N4O2/c1-22-13-3-2-11(20-14(13)18-7-19-20)12(21)4-8-9(15)5-17-6-10(8)16/h2-3,5-7H,4H2,1H3
InChIKeyHOOKGSVYZWYNRS-UHFFFAOYSA-N
MW337.17 g/mol
LogP2.87
Rot. Bonds4

About 2-(3,5-dichloro-4-pyridinyl)-1-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone

2-(3,5-dichloro-4-pyridinyl)-1-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone (PubChem CID 25114584) has the molecular formula C14H10Cl2N4O2 and a molecular weight of 337.17 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-1-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)-1-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone
PubChem CID25114584
Molecular FormulaC14H10Cl2N4O2
Molecular Weight337.17 g/mol
Exact Mass336.02
IUPAC Name2-(3,5-dichloro-4-pyridinyl)-1-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2ncnc12
InChIInChI=1S/C14H10Cl2N4O2/c1-22-13-3-2-11(20-14(13)18-7-19-20)12(21)4-8-9(15)5-17-6-10(8)16/h2-3,5-7H,4H2,1H3
InChIKeyHOOKGSVYZWYNRS-UHFFFAOYSA-N
XLogP2.87
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone (CID 25114584) is 2-(3,5-dichloro-4-pyridinyl)-1-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-1-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-1-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone is COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2ncnc12.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-1-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone?
The InChIKey is HOOKGSVYZWYNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O2/c1-22-13-3-2-11(20-14(13)18-7-19-20)12(21)4-8-9(15)5-17-6-10(8)16/h2-3,5-7H,4H2,1H3.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-1-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone?
2-(3,5-dichloro-4-pyridinyl)-1-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone has a molecular weight of 337.17 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-pyridinyl)-1-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone is sourced from PubChem (CID 25114584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).