1-pyridin-3-yl-4-(tritiooxymethyl)pyridin-2-one

C11H10N2O2 — CID 58582855

IUPAC1-pyridin-3-yl-4-(tritiooxymethyl)pyridin-2-one
SMILES[3H]OCc1ccn(-c2cccnc2)c(=O)c1
InChIInChI=1S/C11H10N2O2/c14-8-9-3-5-13(11(15)6-9)10-2-1-4-12-7-10/h1-7,14H,8H2/i14T
InChIKeyIFJRYVAPLRQTCN-UUEKIZJGSA-N
MW204.22 g/mol
LogP0.72
Rot. Bonds3

About 1-pyridin-3-yl-4-(tritiooxymethyl)pyridin-2-one

1-pyridin-3-yl-4-(tritiooxymethyl)pyridin-2-one (PubChem CID 58582855) has the molecular formula C11H10N2O2 and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-pyridin-3-yl-4-(tritiooxymethyl)pyridin-2-one.

Molecular Properties

Compound Name1-pyridin-3-yl-4-(tritiooxymethyl)pyridin-2-one
PubChem CID58582855
Molecular FormulaC11H10N2O2
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name1-pyridin-3-yl-4-(tritiooxymethyl)pyridin-2-one
SMILES[3H]OCc1ccn(-c2cccnc2)c(=O)c1
InChIInChI=1S/C11H10N2O2/c14-8-9-3-5-13(11(15)6-9)10-2-1-4-12-7-10/h1-7,14H,8H2/i14T
InChIKeyIFJRYVAPLRQTCN-UUEKIZJGSA-N
XLogP0.72
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-4-(tritiooxymethyl)pyridin-2-one?
The IUPAC name of 1-pyridin-3-yl-4-(tritiooxymethyl)pyridin-2-one (CID 58582855) is 1-pyridin-3-yl-4-(tritiooxymethyl)pyridin-2-one.
What is the SMILES notation for 1-pyridin-3-yl-4-(tritiooxymethyl)pyridin-2-one?
The canonical SMILES for 1-pyridin-3-yl-4-(tritiooxymethyl)pyridin-2-one is [3H]OCc1ccn(-c2cccnc2)c(=O)c1.
What is the InChIKey of 1-pyridin-3-yl-4-(tritiooxymethyl)pyridin-2-one?
The InChIKey is IFJRYVAPLRQTCN-UUEKIZJGSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-8-9-3-5-13(11(15)6-9)10-2-1-4-12-7-10/h1-7,14H,8H2/i14T.
What are the key properties of 1-pyridin-3-yl-4-(tritiooxymethyl)pyridin-2-one?
1-pyridin-3-yl-4-(tritiooxymethyl)pyridin-2-one has a molecular weight of 204.22 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-4-(tritiooxymethyl)pyridin-2-one is sourced from PubChem (CID 58582855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).