2-bromo-6-(difluoromethyl)pyridine-4-carbaldehyde

C7H4BrF2NO — CID 91086653

IUPAC2-bromo-6-(difluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(Br)nc(C(F)F)c1
InChIInChI=1S/C7H4BrF2NO/c8-6-2-4(3-12)1-5(11-6)7(9)10/h1-3,7H
InChIKeyWOMTYQYMWYEVSX-UHFFFAOYSA-N
MW236.02 g/mol
LogP2.59
Rot. Bonds2

About 2-bromo-6-(difluoromethyl)pyridine-4-carbaldehyde

2-bromo-6-(difluoromethyl)pyridine-4-carbaldehyde (PubChem CID 91086653) has the molecular formula C7H4BrF2NO and a molecular weight of 236.02 g/mol. Its IUPAC name is 2-bromo-6-(difluoromethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-bromo-6-(difluoromethyl)pyridine-4-carbaldehyde
PubChem CID91086653
Molecular FormulaC7H4BrF2NO
Molecular Weight236.02 g/mol
Exact Mass234.94
IUPAC Name2-bromo-6-(difluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(Br)nc(C(F)F)c1
InChIInChI=1S/C7H4BrF2NO/c8-6-2-4(3-12)1-5(11-6)7(9)10/h1-3,7H
InChIKeyWOMTYQYMWYEVSX-UHFFFAOYSA-N
XLogP2.59
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.02
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(difluoromethyl)pyridine-4-carbaldehyde?
The IUPAC name of 2-bromo-6-(difluoromethyl)pyridine-4-carbaldehyde (CID 91086653) is 2-bromo-6-(difluoromethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-bromo-6-(difluoromethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-bromo-6-(difluoromethyl)pyridine-4-carbaldehyde is O=Cc1cc(Br)nc(C(F)F)c1.
What is the InChIKey of 2-bromo-6-(difluoromethyl)pyridine-4-carbaldehyde?
The InChIKey is WOMTYQYMWYEVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2NO/c8-6-2-4(3-12)1-5(11-6)7(9)10/h1-3,7H.
What are the key properties of 2-bromo-6-(difluoromethyl)pyridine-4-carbaldehyde?
2-bromo-6-(difluoromethyl)pyridine-4-carbaldehyde has a molecular weight of 236.02 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(difluoromethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 91086653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).