6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde

C9H6F5NO2 — CID 118814688

IUPAC6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCOc1c(C(F)F)ncc(C=O)c1C(F)(F)F
InChIInChI=1S/C9H6F5NO2/c1-17-7-5(9(12,13)14)4(3-16)2-15-6(7)8(10)11/h2-3,8H,1H3
InChIKeyRWCQFLCUKKPQIN-UHFFFAOYSA-N
MW255.14 g/mol
LogP2.86
Rot. Bonds3

About 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde

6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 118814688) has the molecular formula C9H6F5NO2 and a molecular weight of 255.14 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID118814688
Molecular FormulaC9H6F5NO2
Molecular Weight255.14 g/mol
Exact Mass255.03
IUPAC Name6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCOc1c(C(F)F)ncc(C=O)c1C(F)(F)F
InChIInChI=1S/C9H6F5NO2/c1-17-7-5(9(12,13)14)4(3-16)2-15-6(7)8(10)11/h2-3,8H,1H3
InChIKeyRWCQFLCUKKPQIN-UHFFFAOYSA-N
XLogP2.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde
CID 118851864
2-(difluoromethyl)-5-formyl-3-methoxypyridine-4-carbonitrile
CID 118800032
methyl 2-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate
CID 133098888
2-(difluoromethyl)-3-methoxy-5-methylpyridine-4-carbaldehyde
CID 118854298
2-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134668342
5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 133099508
6-(difluoromethyl)-4,5-difluoropyridine-3-carbaldehyde
CID 130099857
2-(difluoromethyl)-4-methoxy-5-methyl-3-(trifluoromethoxy)pyridine
CID 134670213
4-bromo-2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)pyridine
CID 118806198
2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-3-ol
CID 130083326
6-(bromomethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 134672645
methyl 2-[6-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 133103864

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde (CID 118814688) is 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde is COc1c(C(F)F)ncc(C=O)c1C(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is RWCQFLCUKKPQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO2/c1-17-7-5(9(12,13)14)4(3-16)2-15-6(7)8(10)11/h2-3,8H,1H3.
What are the key properties of 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde?
6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 255.14 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 118814688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).