6-(difluoromethyl)-3,5-difluoropyridine-2-carbaldehyde

C7H3F4NO — CID 130099862

IUPAC6-(difluoromethyl)-3,5-difluoropyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)c(F)cc1F
InChIInChI=1S/C7H3F4NO/c8-3-1-4(9)6(7(10)11)12-5(3)2-13/h1-2,7H
InChIKeyXIQLLKKPSQOUAR-UHFFFAOYSA-N
MW193.10 g/mol
LogP2.11
Rot. Bonds2

About 6-(difluoromethyl)-3,5-difluoropyridine-2-carbaldehyde

6-(difluoromethyl)-3,5-difluoropyridine-2-carbaldehyde (PubChem CID 130099862) has the molecular formula C7H3F4NO and a molecular weight of 193.10 g/mol. Its IUPAC name is 6-(difluoromethyl)-3,5-difluoropyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-3,5-difluoropyridine-2-carbaldehyde
PubChem CID130099862
Molecular FormulaC7H3F4NO
Molecular Weight193.10 g/mol
Exact Mass193.02
IUPAC Name6-(difluoromethyl)-3,5-difluoropyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)c(F)cc1F
InChIInChI=1S/C7H3F4NO/c8-3-1-4(9)6(7(10)11)12-5(3)2-13/h1-2,7H
InChIKeyXIQLLKKPSQOUAR-UHFFFAOYSA-N
XLogP2.11
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.10
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde
CID 130081136
6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130082465
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde
CID 130073315
5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130102093
3-amino-5-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130102096
3-chloro-6-(difluoromethyl)-5-hydroxypyridine-2-carbaldehyde
CID 130072655
2-(difluoromethyl)-3-fluoro-5,6-diiodopyridine
CID 130100474
3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 130090489
6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde
CID 118814889
6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 119014251
5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde
CID 130085191
4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde
CID 130082275

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3,5-difluoropyridine-2-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-3,5-difluoropyridine-2-carbaldehyde (CID 130099862) is 6-(difluoromethyl)-3,5-difluoropyridine-2-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-3,5-difluoropyridine-2-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-3,5-difluoropyridine-2-carbaldehyde is O=Cc1nc(C(F)F)c(F)cc1F.
What is the InChIKey of 6-(difluoromethyl)-3,5-difluoropyridine-2-carbaldehyde?
The InChIKey is XIQLLKKPSQOUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4NO/c8-3-1-4(9)6(7(10)11)12-5(3)2-13/h1-2,7H.
What are the key properties of 6-(difluoromethyl)-3,5-difluoropyridine-2-carbaldehyde?
6-(difluoromethyl)-3,5-difluoropyridine-2-carbaldehyde has a molecular weight of 193.10 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3,5-difluoropyridine-2-carbaldehyde is sourced from PubChem (CID 130099862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).