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

C7H3BrF2N2O3 — CID 118851470

IUPAC4-bromo-3-(difluoromethyl)-6-nitropyridine-2-carbaldehyde
SMILESO=Cc1nc([N+](=O)[O-])cc(Br)c1C(F)F
InChIInChI=1S/C7H3BrF2N2O3/c8-3-1-5(12(14)15)11-4(2-13)6(3)7(9)10/h1-2,7H
InChIKeyPCHQAQOPCNWSQH-UHFFFAOYSA-N
MW281.01 g/mol
LogP2.50
Rot. Bonds3

About 4-bromo-3-(difluoromethyl)-6-nitropyridine-2-carbaldehyde

4-bromo-3-(difluoromethyl)-6-nitropyridine-2-carbaldehyde (PubChem CID 118851470) has the molecular formula C7H3BrF2N2O3 and a molecular weight of 281.01 g/mol. Its IUPAC name is 4-bromo-3-(difluoromethyl)-6-nitropyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-bromo-3-(difluoromethyl)-6-nitropyridine-2-carbaldehyde
PubChem CID118851470
Molecular FormulaC7H3BrF2N2O3
Molecular Weight281.01 g/mol
Exact Mass279.93
IUPAC Name4-bromo-3-(difluoromethyl)-6-nitropyridine-2-carbaldehyde
SMILESO=Cc1nc([N+](=O)[O-])cc(Br)c1C(F)F
InChIInChI=1S/C7H3BrF2N2O3/c8-3-1-5(12(14)15)11-4(2-13)6(3)7(9)10/h1-2,7H
InChIKeyPCHQAQOPCNWSQH-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-(difluoromethyl)-3-methoxy-6-nitropyridine-2-carbaldehyde
CID 118817249
4-bromo-6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbaldehyde
CID 130070650
3-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde
CID 130069920
4-bromo-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130101830
2-bromo-3-(difluoromethyl)-6-nitropyridine-4-carboxylic acid
CID 119002406
3-(difluoromethyl)-4-methyl-6-nitropyridine-2-sulfonamide
CID 133098938
4-bromo-5-(difluoromethyl)-6-methylpyridine-2-carbaldehyde
CID 118799535
2-[4-bromo-2-(difluoromethyl)-6-nitro-3-pyridinyl]acetic acid
CID 118806238
4-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde
CID 118844660
3-bromo-4-(difluoromethyl)-2-methoxy-6-nitropyridine
CID 130068676
4-amino-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 118812167
4-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 118834583

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(difluoromethyl)-6-nitropyridine-2-carbaldehyde?
The IUPAC name of 4-bromo-3-(difluoromethyl)-6-nitropyridine-2-carbaldehyde (CID 118851470) is 4-bromo-3-(difluoromethyl)-6-nitropyridine-2-carbaldehyde.
What is the SMILES notation for 4-bromo-3-(difluoromethyl)-6-nitropyridine-2-carbaldehyde?
The canonical SMILES for 4-bromo-3-(difluoromethyl)-6-nitropyridine-2-carbaldehyde is O=Cc1nc([N+](=O)[O-])cc(Br)c1C(F)F.
What is the InChIKey of 4-bromo-3-(difluoromethyl)-6-nitropyridine-2-carbaldehyde?
The InChIKey is PCHQAQOPCNWSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF2N2O3/c8-3-1-5(12(14)15)11-4(2-13)6(3)7(9)10/h1-2,7H.
What are the key properties of 4-bromo-3-(difluoromethyl)-6-nitropyridine-2-carbaldehyde?
4-bromo-3-(difluoromethyl)-6-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 4-bromo-3-(difluoromethyl)-6-nitropyridine-2-carbaldehyde is sourced from PubChem (CID 118851470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).