1-(5-amino-3-methoxy-2-pyridinyl)ethanone

C8H10N2O2 — CID 130047706

IUPAC1-(5-amino-3-methoxy-2-pyridinyl)ethanone
SMILESCOc1cc(N)cnc1C(C)=O
InChIInChI=1S/C8H10N2O2/c1-5(11)8-7(12-2)3-6(9)4-10-8/h3-4H,9H2,1-2H3
InChIKeyYFQSOMPFQZCRCE-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.88
Rot. Bonds2

About 1-(5-amino-3-methoxy-2-pyridinyl)ethanone

1-(5-amino-3-methoxy-2-pyridinyl)ethanone (PubChem CID 130047706) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-(5-amino-3-methoxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(5-amino-3-methoxy-2-pyridinyl)ethanone
PubChem CID130047706
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-(5-amino-3-methoxy-2-pyridinyl)ethanone
SMILESCOc1cc(N)cnc1C(C)=O
InChIInChI=1S/C8H10N2O2/c1-5(11)8-7(12-2)3-6(9)4-10-8/h3-4H,9H2,1-2H3
InChIKeyYFQSOMPFQZCRCE-UHFFFAOYSA-N
XLogP0.88
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-methoxy-2-pyridinyl)ethanone?
The IUPAC name of 1-(5-amino-3-methoxy-2-pyridinyl)ethanone (CID 130047706) is 1-(5-amino-3-methoxy-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(5-amino-3-methoxy-2-pyridinyl)ethanone?
The canonical SMILES for 1-(5-amino-3-methoxy-2-pyridinyl)ethanone is COc1cc(N)cnc1C(C)=O.
What is the InChIKey of 1-(5-amino-3-methoxy-2-pyridinyl)ethanone?
The InChIKey is YFQSOMPFQZCRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5(11)8-7(12-2)3-6(9)4-10-8/h3-4H,9H2,1-2H3.
What are the key properties of 1-(5-amino-3-methoxy-2-pyridinyl)ethanone?
1-(5-amino-3-methoxy-2-pyridinyl)ethanone has a molecular weight of 166.18 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-methoxy-2-pyridinyl)ethanone is sourced from PubChem (CID 130047706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).