methane;pyridine-2,5-dione

C6H7NO2 — CID 77233973

IUPACmethane;pyridine-2,5-dione
SMILESC.O=C1C=CC(=O)N=C1
InChIInChI=1S/C5H3NO2.CH4/c7-4-1-2-5(8)6-3-4;/h1-3H;1H4
InChIKeyTXMKAIASBTXWJL-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.36
Rot. Bonds

About methane;pyridine-2,5-dione

methane;pyridine-2,5-dione (PubChem CID 77233973) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is methane;pyridine-2,5-dione.

Molecular Properties

Compound Namemethane;pyridine-2,5-dione
PubChem CID77233973
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Namemethane;pyridine-2,5-dione
SMILESC.O=C1C=CC(=O)N=C1
InChIInChI=1S/C5H3NO2.CH4/c7-4-1-2-5(8)6-3-4;/h1-3H;1H4
InChIKeyTXMKAIASBTXWJL-UHFFFAOYSA-N
XLogP0.36
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;pyridine-2,5-dione?
The IUPAC name of methane;pyridine-2,5-dione (CID 77233973) is methane;pyridine-2,5-dione.
What is the SMILES notation for methane;pyridine-2,5-dione?
The canonical SMILES for methane;pyridine-2,5-dione is C.O=C1C=CC(=O)N=C1.
What is the InChIKey of methane;pyridine-2,5-dione?
The InChIKey is TXMKAIASBTXWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3NO2.CH4/c7-4-1-2-5(8)6-3-4;/h1-3H;1H4.
What are the key properties of methane;pyridine-2,5-dione?
methane;pyridine-2,5-dione has a molecular weight of 125.13 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;pyridine-2,5-dione is sourced from PubChem (CID 77233973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).