1-(3-methoxy-2-pyridinyl)azet-2-one

C9H8N2O2 — CID 175088314

IUPAC1-(3-methoxy-2-pyridinyl)azet-2-one
SMILESCOc1cccnc1N1C=CC1=O
InChIInChI=1S/C9H8N2O2/c1-13-7-3-2-5-10-9(7)11-6-4-8(11)12/h2-6H,1H3
InChIKeyRCIPQQJINGWSQN-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.95
Rot. Bonds2

About 1-(3-methoxy-2-pyridinyl)azet-2-one

1-(3-methoxy-2-pyridinyl)azet-2-one (PubChem CID 175088314) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 1-(3-methoxy-2-pyridinyl)azet-2-one.

Molecular Properties

Compound Name1-(3-methoxy-2-pyridinyl)azet-2-one
PubChem CID175088314
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name1-(3-methoxy-2-pyridinyl)azet-2-one
SMILESCOc1cccnc1N1C=CC1=O
InChIInChI=1S/C9H8N2O2/c1-13-7-3-2-5-10-9(7)11-6-4-8(11)12/h2-6H,1H3
InChIKeyRCIPQQJINGWSQN-UHFFFAOYSA-N
XLogP0.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-pyridinyl)azet-2-one?
The IUPAC name of 1-(3-methoxy-2-pyridinyl)azet-2-one (CID 175088314) is 1-(3-methoxy-2-pyridinyl)azet-2-one.
What is the SMILES notation for 1-(3-methoxy-2-pyridinyl)azet-2-one?
The canonical SMILES for 1-(3-methoxy-2-pyridinyl)azet-2-one is COc1cccnc1N1C=CC1=O.
What is the InChIKey of 1-(3-methoxy-2-pyridinyl)azet-2-one?
The InChIKey is RCIPQQJINGWSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-13-7-3-2-5-10-9(7)11-6-4-8(11)12/h2-6H,1H3.
What are the key properties of 1-(3-methoxy-2-pyridinyl)azet-2-one?
1-(3-methoxy-2-pyridinyl)azet-2-one has a molecular weight of 176.17 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-pyridinyl)azet-2-one is sourced from PubChem (CID 175088314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).