3-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde

C7H3BrF2N2O3 — CID 130069920

IUPAC3-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)c([N+](=O)[O-])cc1Br
InChIInChI=1S/C7H3BrF2N2O3/c8-3-1-5(12(14)15)6(7(9)10)11-4(3)2-13/h1-2,7H
InChIKeyLZFNGQGYQPYOKA-UHFFFAOYSA-N
MW281.01 g/mol
LogP2.50
Rot. Bonds3

About 3-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde

3-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde (PubChem CID 130069920) has the molecular formula C7H3BrF2N2O3 and a molecular weight of 281.01 g/mol. Its IUPAC name is 3-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde
PubChem CID130069920
Molecular FormulaC7H3BrF2N2O3
Molecular Weight281.01 g/mol
Exact Mass279.93
IUPAC Name3-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)c([N+](=O)[O-])cc1Br
InChIInChI=1S/C7H3BrF2N2O3/c8-3-1-5(12(14)15)6(7(9)10)11-4(3)2-13/h1-2,7H
InChIKeyLZFNGQGYQPYOKA-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

6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118820580
5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130109443
6-(difluoromethyl)-2-formyl-5-nitropyridine-3-carbonitrile
CID 130078756
2,5-dibromo-6-(difluoromethyl)-3-nitropyridine
CID 130098945
5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130102093
6-(difluoromethyl)-3-hydroxy-4-nitropyridine-2-carbaldehyde
CID 130084402
4-bromo-3-(difluoromethyl)-6-nitropyridine-2-carbaldehyde
CID 118851470
2-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine
CID 119020021
3-amino-5-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130102096
6-(difluoromethyl)-5-nitropyridine-2,3-diamine
CID 119002066
5-bromo-6-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 131319660
2-(difluoromethyl)-6-fluoro-5-iodo-3-nitropyridine
CID 118854544

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde?
The IUPAC name of 3-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde (CID 130069920) is 3-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde.
What is the SMILES notation for 3-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde?
The canonical SMILES for 3-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde is O=Cc1nc(C(F)F)c([N+](=O)[O-])cc1Br.
What is the InChIKey of 3-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde?
The InChIKey is LZFNGQGYQPYOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF2N2O3/c8-3-1-5(12(14)15)6(7(9)10)11-4(3)2-13/h1-2,7H.
What are the key properties of 3-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde?
3-bromo-6-(difluoromethyl)-5-nitropyridine-2-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 3-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde is sourced from PubChem (CID 130069920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).