4-chloro-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde

C7H3ClF3NO — CID 118839466

IUPAC4-chloro-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)cc(Cl)c1F
InChIInChI=1S/C7H3ClF3NO/c8-3-1-4(7(10)11)12-5(2-13)6(3)9/h1-2,7H
InChIKeyXDCFDGNHLYTKDJ-UHFFFAOYSA-N
MW209.55 g/mol
LogP2.62
Rot. Bonds2

About 4-chloro-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde

4-chloro-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde (PubChem CID 118839466) has the molecular formula C7H3ClF3NO and a molecular weight of 209.55 g/mol. Its IUPAC name is 4-chloro-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde
PubChem CID118839466
Molecular FormulaC7H3ClF3NO
Molecular Weight209.55 g/mol
Exact Mass208.99
IUPAC Name4-chloro-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)cc(Cl)c1F
InChIInChI=1S/C7H3ClF3NO/c8-3-1-4(7(10)11)12-5(2-13)6(3)9/h1-2,7H
InChIKeyXDCFDGNHLYTKDJ-UHFFFAOYSA-N
XLogP2.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.55
LogP ≤ 52.62
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

4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde
CID 130082275
4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118850698
4-chloro-6-(difluoromethyl)-2,3-difluoropyridine
CID 118811179
6-(difluoromethyl)-3-fluoro-2-formylpyridine-4-carbonitrile
CID 118844899
3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075614
4-(aminomethyl)-3-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 118829181
3-amino-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107547
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde
CID 130073315
3-chloro-6-(difluoromethyl)-5-hydroxypyridine-2-carbaldehyde
CID 130072655
6-(difluoromethyl)-3-hydroxy-4-nitropyridine-2-carbaldehyde
CID 130084402
2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde
CID 119009671
6-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130087725

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde?
The IUPAC name of 4-chloro-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde (CID 118839466) is 4-chloro-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde.
What is the SMILES notation for 4-chloro-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde?
The canonical SMILES for 4-chloro-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde is O=Cc1nc(C(F)F)cc(Cl)c1F.
What is the InChIKey of 4-chloro-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde?
The InChIKey is XDCFDGNHLYTKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO/c8-3-1-4(7(10)11)12-5(2-13)6(3)9/h1-2,7H.
What are the key properties of 4-chloro-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde?
4-chloro-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde has a molecular weight of 209.55 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde is sourced from PubChem (CID 118839466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).