6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde

C8H3BrF5NO2 — CID 119019596

IUPAC6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1cc(C(F)F)c(OC(F)(F)F)c(Br)n1
InChIInChI=1S/C8H3BrF5NO2/c9-6-5(17-8(12,13)14)4(7(10)11)1-3(2-16)15-6/h1-2,7H
InChIKeyRKLXBKMZWBBRHG-UHFFFAOYSA-N
MW320.01 g/mol
LogP3.49
Rot. Bonds3

About 6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde

6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde (PubChem CID 119019596) has the molecular formula C8H3BrF5NO2 and a molecular weight of 320.01 g/mol. Its IUPAC name is 6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
PubChem CID119019596
Molecular FormulaC8H3BrF5NO2
Molecular Weight320.01 g/mol
Exact Mass318.93
IUPAC Name6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1cc(C(F)F)c(OC(F)(F)F)c(Br)n1
InChIInChI=1S/C8H3BrF5NO2/c9-6-5(17-8(12,13)14)4(7(10)11)1-3(2-16)15-6/h1-2,7H
InChIKeyRKLXBKMZWBBRHG-UHFFFAOYSA-N
XLogP3.49
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.01
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118819890
6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119016947
5-amino-6-bromo-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130102081
5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134663455
6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118809091
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118818531
4-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118817416
4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118812828
5-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134677513
4-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118812592
4-(difluoromethyl)-6-formyl-3-methoxypyridine-2-carbonitrile
CID 119024722
4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119019491

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde (CID 119019596) is 6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde is O=Cc1cc(C(F)F)c(OC(F)(F)F)c(Br)n1.
What is the InChIKey of 6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde?
The InChIKey is RKLXBKMZWBBRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF5NO2/c9-6-5(17-8(12,13)14)4(7(10)11)1-3(2-16)15-6/h1-2,7H.
What are the key properties of 6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde?
6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde has a molecular weight of 320.01 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 119019596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).