5-(bromomethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde

C8H6BrF2NO2 — CID 130084873

IUPAC5-(bromomethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)[nH]cc(CBr)c1=O
InChIInChI=1S/C8H6BrF2NO2/c9-1-4-2-12-6(8(10)11)5(3-13)7(4)14/h2-3,8H,1H2,(H,12,14)
InChIKeyHRRNODMBUNIUES-UHFFFAOYSA-N
MW266.04 g/mol
LogP2.02
Rot. Bonds3

About 5-(bromomethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde

5-(bromomethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 130084873) has the molecular formula C8H6BrF2NO2 and a molecular weight of 266.04 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(bromomethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde
PubChem CID130084873
Molecular FormulaC8H6BrF2NO2
Molecular Weight266.04 g/mol
Exact Mass264.95
IUPAC Name5-(bromomethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)[nH]cc(CBr)c1=O
InChIInChI=1S/C8H6BrF2NO2/c9-1-4-2-12-6(8(10)11)5(3-13)7(4)14/h2-3,8H,1H2,(H,12,14)
InChIKeyHRRNODMBUNIUES-UHFFFAOYSA-N
XLogP2.02
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(bromomethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(bromomethyl)-2-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
CID 130079455
2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbaldehyde
CID 118809039
5-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 134680416
2-[5-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetonitrile
CID 130084750
2-[6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridin-3-yl]acetonitrile
CID 118842993
5-(chloromethyl)-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130085199
2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-3-yl]acetic acid
CID 118842948
3-(bromomethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130098184
5-(difluoromethyl)-3-formyl-4-oxo-1H-pyridine-2-carbonitrile
CID 119023722
2-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde
CID 119003621
5-(bromomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 130084848
4-(bromomethyl)-6-(difluoromethyl)-2-methylpyridine-3-carbaldehyde
CID 130090124

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 5-(bromomethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde (CID 130084873) is 5-(bromomethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 5-(bromomethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 5-(bromomethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde is O=Cc1c(C(F)F)[nH]cc(CBr)c1=O.
What is the InChIKey of 5-(bromomethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is HRRNODMBUNIUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2NO2/c9-1-4-2-12-6(8(10)11)5(3-13)7(4)14/h2-3,8H,1H2,(H,12,14).
What are the key properties of 5-(bromomethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde?
5-(bromomethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 266.04 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 130084873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).