methane;3-methyl-6-oxo-1H-pyridine-2-carbaldehyde

C8H11NO2 — CID 161030313

IUPACmethane;3-methyl-6-oxo-1H-pyridine-2-carbaldehyde
SMILESC.Cc1ccc(=O)[nH]c1C=O
InChIInChI=1S/C7H7NO2.CH4/c1-5-2-3-7(10)8-6(5)4-9;/h2-4H,1H3,(H,8,10);1H4
InChIKeyTZNHWOPDWFQXJO-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.13
Rot. Bonds1

About methane;3-methyl-6-oxo-1H-pyridine-2-carbaldehyde

methane;3-methyl-6-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 161030313) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is methane;3-methyl-6-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Namemethane;3-methyl-6-oxo-1H-pyridine-2-carbaldehyde
PubChem CID161030313
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Namemethane;3-methyl-6-oxo-1H-pyridine-2-carbaldehyde
SMILESC.Cc1ccc(=O)[nH]c1C=O
InChIInChI=1S/C7H7NO2.CH4/c1-5-2-3-7(10)8-6(5)4-9;/h2-4H,1H3,(H,8,10);1H4
InChIKeyTZNHWOPDWFQXJO-UHFFFAOYSA-N
XLogP1.13
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methane;3-methyl-6-oxo-1H-pyridine-2-carbaldehyde?
The IUPAC name of methane;3-methyl-6-oxo-1H-pyridine-2-carbaldehyde (CID 161030313) is methane;3-methyl-6-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for methane;3-methyl-6-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for methane;3-methyl-6-oxo-1H-pyridine-2-carbaldehyde is C.Cc1ccc(=O)[nH]c1C=O.
What is the InChIKey of methane;3-methyl-6-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is TZNHWOPDWFQXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.CH4/c1-5-2-3-7(10)8-6(5)4-9;/h2-4H,1H3,(H,8,10);1H4.
What are the key properties of methane;3-methyl-6-oxo-1H-pyridine-2-carbaldehyde?
methane;3-methyl-6-oxo-1H-pyridine-2-carbaldehyde has a molecular weight of 153.18 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methyl-6-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 161030313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).