5-bromo-3-methyl-6-oxo-1H-pyridine-2-carbaldehyde

C7H6BrNO2 — CID 142402619

IUPAC5-bromo-3-methyl-6-oxo-1H-pyridine-2-carbaldehyde
SMILESCc1cc(Br)c(=O)[nH]c1C=O
InChIInChI=1S/C7H6BrNO2/c1-4-2-5(8)7(11)9-6(4)3-10/h2-3H,1H3,(H,9,11)
InChIKeyHAXHGBMRKLEMIH-UHFFFAOYSA-N
MW216.03 g/mol
LogP1.26
Rot. Bonds1

About 5-bromo-3-methyl-6-oxo-1H-pyridine-2-carbaldehyde

5-bromo-3-methyl-6-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 142402619) has the molecular formula C7H6BrNO2 and a molecular weight of 216.03 g/mol. Its IUPAC name is 5-bromo-3-methyl-6-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-bromo-3-methyl-6-oxo-1H-pyridine-2-carbaldehyde
PubChem CID142402619
Molecular FormulaC7H6BrNO2
Molecular Weight216.03 g/mol
Exact Mass214.96
IUPAC Name5-bromo-3-methyl-6-oxo-1H-pyridine-2-carbaldehyde
SMILESCc1cc(Br)c(=O)[nH]c1C=O
InChIInChI=1S/C7H6BrNO2/c1-4-2-5(8)7(11)9-6(4)3-10/h2-3H,1H3,(H,9,11)
InChIKeyHAXHGBMRKLEMIH-UHFFFAOYSA-N
XLogP1.26
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.03
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Bromo-5,6-dimethyl-2(1H)-pyridinone
CID 50944339
4-Bromo-3-(difluoromethyl)-6-hydroxypicolinaldehyde
CID 118828957
5-bromo-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 130110396
3-bromo-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 130110399
5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 130110402
5-bromo-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 130110413
3-Methyl-6-oxo-1,6-dihydropyridine-2-carbaldehyde
CID 59108889
5-Bromo-3-methyl-6-oxo-1,6-dihydropyridine-2-carboxamide
CID 118598656
methane;3-methyl-6-oxo-1H-pyridine-2-carbaldehyde
CID 161030313
6-Hydroxy-4-methylpyridine-2-carbaldehyde
CID 72215474
6-Hydroxypyridine-2,4-dicarbaldehyde
CID 72215495
5-Bromo-6-hydroxypicolinaldehyde
CID 105454038

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-6-oxo-1H-pyridine-2-carbaldehyde?
The IUPAC name of 5-bromo-3-methyl-6-oxo-1H-pyridine-2-carbaldehyde (CID 142402619) is 5-bromo-3-methyl-6-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 5-bromo-3-methyl-6-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 5-bromo-3-methyl-6-oxo-1H-pyridine-2-carbaldehyde is Cc1cc(Br)c(=O)[nH]c1C=O.
What is the InChIKey of 5-bromo-3-methyl-6-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is HAXHGBMRKLEMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO2/c1-4-2-5(8)7(11)9-6(4)3-10/h2-3H,1H3,(H,9,11).
What are the key properties of 5-bromo-3-methyl-6-oxo-1H-pyridine-2-carbaldehyde?
5-bromo-3-methyl-6-oxo-1H-pyridine-2-carbaldehyde has a molecular weight of 216.03 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-6-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 142402619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).