1-(2-amino-4-pyridinyl)ethanone

C7H8N2O — CID 13145258

IUPAC1-(2-amino-4-pyridinyl)ethanone
SMILESCC(=O)c1ccnc(N)c1
InChIInChI=1S/C7H8N2O/c1-5(10)6-2-3-9-7(8)4-6/h2-4H,1H3,(H2,8,9)
InChIKeyOZNURVDNAKVKGM-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.87
Rot. Bonds1

About 1-(2-amino-4-pyridinyl)ethanone

1-(2-amino-4-pyridinyl)ethanone (PubChem CID 13145258) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 1-(2-amino-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-pyridinyl)ethanone
PubChem CID13145258
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name1-(2-amino-4-pyridinyl)ethanone
SMILESCC(=O)c1ccnc(N)c1
InChIInChI=1S/C7H8N2O/c1-5(10)6-2-3-9-7(8)4-6/h2-4H,1H3,(H2,8,9)
InChIKeyOZNURVDNAKVKGM-UHFFFAOYSA-N
XLogP0.87
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-pyridinyl)ethanone?
The IUPAC name of 1-(2-amino-4-pyridinyl)ethanone (CID 13145258) is 1-(2-amino-4-pyridinyl)ethanone.
What is the SMILES notation for 1-(2-amino-4-pyridinyl)ethanone?
The canonical SMILES for 1-(2-amino-4-pyridinyl)ethanone is CC(=O)c1ccnc(N)c1.
What is the InChIKey of 1-(2-amino-4-pyridinyl)ethanone?
The InChIKey is OZNURVDNAKVKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-5(10)6-2-3-9-7(8)4-6/h2-4H,1H3,(H2,8,9).
What are the key properties of 1-(2-amino-4-pyridinyl)ethanone?
1-(2-amino-4-pyridinyl)ethanone has a molecular weight of 136.15 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-pyridinyl)ethanone is sourced from PubChem (CID 13145258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).