(5-methyl-2-oxo-1H-pyridin-3-yl)-oxoazanium

C6H7N2O2+ — CID 143405624

IUPAC(5-methyl-2-oxo-1H-pyridin-3-yl)-oxoazanium
SMILESCc1c[nH]c(=O)c([NH+]=O)c1
InChIInChI=1S/C6H6N2O2/c1-4-2-5(8-10)6(9)7-3-4/h2-3H,1H3,(H,7,9)/p+1
InChIKeyWKNXEQKPFNEHFN-UHFFFAOYSA-O
MW139.13 g/mol
LogP-0.84
Rot. Bonds1

About (5-methyl-2-oxo-1H-pyridin-3-yl)-oxoazanium

(5-methyl-2-oxo-1H-pyridin-3-yl)-oxoazanium (PubChem CID 143405624) has the molecular formula C6H7N2O2+ and a molecular weight of 139.13 g/mol. Its IUPAC name is (5-methyl-2-oxo-1H-pyridin-3-yl)-oxoazanium.

Molecular Properties

Compound Name(5-methyl-2-oxo-1H-pyridin-3-yl)-oxoazanium
PubChem CID143405624
Molecular FormulaC6H7N2O2+
Molecular Weight139.13 g/mol
Exact Mass139.05
IUPAC Name(5-methyl-2-oxo-1H-pyridin-3-yl)-oxoazanium
SMILESCc1c[nH]c(=O)c([NH+]=O)c1
InChIInChI=1S/C6H6N2O2/c1-4-2-5(8-10)6(9)7-3-4/h2-3H,1H3,(H,7,9)/p+1
InChIKeyWKNXEQKPFNEHFN-UHFFFAOYSA-O
XLogP-0.84
TPSA63.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxo-1H-pyridin-3-yl)-oxoazanium?
The IUPAC name of (5-methyl-2-oxo-1H-pyridin-3-yl)-oxoazanium (CID 143405624) is (5-methyl-2-oxo-1H-pyridin-3-yl)-oxoazanium.
What is the SMILES notation for (5-methyl-2-oxo-1H-pyridin-3-yl)-oxoazanium?
The canonical SMILES for (5-methyl-2-oxo-1H-pyridin-3-yl)-oxoazanium is Cc1c[nH]c(=O)c([NH+]=O)c1.
What is the InChIKey of (5-methyl-2-oxo-1H-pyridin-3-yl)-oxoazanium?
The InChIKey is WKNXEQKPFNEHFN-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H6N2O2/c1-4-2-5(8-10)6(9)7-3-4/h2-3H,1H3,(H,7,9)/p+1.
What are the key properties of (5-methyl-2-oxo-1H-pyridin-3-yl)-oxoazanium?
(5-methyl-2-oxo-1H-pyridin-3-yl)-oxoazanium has a molecular weight of 139.13 g/mol, XLogP of -0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxo-1H-pyridin-3-yl)-oxoazanium is sourced from PubChem (CID 143405624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).