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

C9H5ClF5NO2 — CID 134663455

IUPAC5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1cc(C(F)F)c(CCl)c(OC(F)(F)F)n1
InChIInChI=1S/C9H5ClF5NO2/c10-2-6-5(7(11)12)1-4(3-17)16-8(6)18-9(13,14)15/h1,3,7H,2H2
InChIKeyQESDGMYNGAKLFW-UHFFFAOYSA-N
MW289.59 g/mol
LogP3.47
Rot. Bonds4

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

5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbaldehyde (PubChem CID 134663455) has the molecular formula C9H5ClF5NO2 and a molecular weight of 289.59 g/mol. Its IUPAC name is 5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbaldehyde
PubChem CID134663455
Molecular FormulaC9H5ClF5NO2
Molecular Weight289.59 g/mol
Exact Mass288.99
IUPAC Name5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1cc(C(F)F)c(CCl)c(OC(F)(F)F)n1
InChIInChI=1S/C9H5ClF5NO2/c10-2-6-5(7(11)12)1-4(3-17)16-8(6)18-9(13,14)15/h1,3,7H,2H2
InChIKeyQESDGMYNGAKLFW-UHFFFAOYSA-N
XLogP3.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.59
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-4-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine
CID 134659593
5-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134677513
6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 119019596
6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118819890
6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075599
5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679457
3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134675956
5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134673019
6-(chloromethyl)-4-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 118838186
3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134670626
3-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134669064
6-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134672327

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbaldehyde (CID 134663455) is 5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbaldehyde is O=Cc1cc(C(F)F)c(CCl)c(OC(F)(F)F)n1.
What is the InChIKey of 5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbaldehyde?
The InChIKey is QESDGMYNGAKLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF5NO2/c10-2-6-5(7(11)12)1-4(3-17)16-8(6)18-9(13,14)15/h1,3,7H,2H2.
What are the key properties of 5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbaldehyde?
5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbaldehyde has a molecular weight of 289.59 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 134663455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).