4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbaldehyde

C7H3BrF2N2O3 — CID 130069917

IUPAC4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbaldehyde
SMILESO=Cc1cnc(C(F)F)c([N+](=O)[O-])c1Br
InChIInChI=1S/C7H3BrF2N2O3/c8-4-3(2-13)1-11-5(7(9)10)6(4)12(14)15/h1-2,7H
InChIKeyULJWLRLXPYLBMS-UHFFFAOYSA-N
MW281.01 g/mol
LogP2.50
Rot. Bonds3

About 4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbaldehyde

4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbaldehyde (PubChem CID 130069917) has the molecular formula C7H3BrF2N2O3 and a molecular weight of 281.01 g/mol. Its IUPAC name is 4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbaldehyde
PubChem CID130069917
Molecular FormulaC7H3BrF2N2O3
Molecular Weight281.01 g/mol
Exact Mass279.93
IUPAC Name4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbaldehyde
SMILESO=Cc1cnc(C(F)F)c([N+](=O)[O-])c1Br
InChIInChI=1S/C7H3BrF2N2O3/c8-4-3(2-13)1-11-5(7(9)10)6(4)12(14)15/h1-2,7H
InChIKeyULJWLRLXPYLBMS-UHFFFAOYSA-N
XLogP2.50
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.01
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbonitrile
CID 118822990
4-bromo-5-chloro-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 118811578
4-bromo-2-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine
CID 118845681
5-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine
CID 130069132
2-(difluoromethyl)-6-fluoro-3-nitropyridine-4-carbaldehyde
CID 118820515
2-[5-bromo-6-(difluoromethyl)-4-nitro-3-pyridinyl]acetonitrile
CID 130069827
2-(difluoromethyl)-6-iodo-3-nitropyridine-4-carbaldehyde
CID 118803878
6-(difluoromethyl)-4,5-difluoropyridine-3-carbaldehyde
CID 130099857
5-bromo-4-nitropyridine-3-carbaldehyde
CID 131052824
3-bromo-2-(difluoromethyl)-5-nitropyridine
CID 130095069
2-bromo-5-(difluoromethyl)-3-methyl-4-nitropyridine
CID 119020785
[6-(difluoromethyl)-4-fluoro-5-nitro-3-pyridinyl]methanol
CID 133104596

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbaldehyde?
The IUPAC name of 4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbaldehyde (CID 130069917) is 4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbaldehyde.
What is the SMILES notation for 4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbaldehyde?
The canonical SMILES for 4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbaldehyde is O=Cc1cnc(C(F)F)c([N+](=O)[O-])c1Br.
What is the InChIKey of 4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbaldehyde?
The InChIKey is ULJWLRLXPYLBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF2N2O3/c8-4-3(2-13)1-11-5(7(9)10)6(4)12(14)15/h1-2,7H.
What are the key properties of 4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbaldehyde?
4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbaldehyde has a molecular weight of 281.01 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbaldehyde is sourced from PubChem (CID 130069917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).