6-(difluoromethyl)-4,5-difluoropyridine-3-carbaldehyde

C7H3F4NO — CID 130099857

IUPAC6-(difluoromethyl)-4,5-difluoropyridine-3-carbaldehyde
SMILESO=Cc1cnc(C(F)F)c(F)c1F
InChIInChI=1S/C7H3F4NO/c8-4-3(2-13)1-12-6(5(4)9)7(10)11/h1-2,7H
InChIKeyAEWDPSNVVHYZDL-UHFFFAOYSA-N
MW193.10 g/mol
LogP2.11
Rot. Bonds2

About 6-(difluoromethyl)-4,5-difluoropyridine-3-carbaldehyde

6-(difluoromethyl)-4,5-difluoropyridine-3-carbaldehyde (PubChem CID 130099857) has the molecular formula C7H3F4NO and a molecular weight of 193.10 g/mol. Its IUPAC name is 6-(difluoromethyl)-4,5-difluoropyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-4,5-difluoropyridine-3-carbaldehyde
PubChem CID130099857
Molecular FormulaC7H3F4NO
Molecular Weight193.10 g/mol
Exact Mass193.02
IUPAC Name6-(difluoromethyl)-4,5-difluoropyridine-3-carbaldehyde
SMILESO=Cc1cnc(C(F)F)c(F)c1F
InChIInChI=1S/C7H3F4NO/c8-4-3(2-13)1-12-6(5(4)9)7(10)11/h1-2,7H
InChIKeyAEWDPSNVVHYZDL-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

4-amino-6-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 118851291
5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde
CID 130104215
4-amino-6-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
CID 118845258
4-chloro-6-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 118822221
4-bromo-5-chloro-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 118811578
2-(difluoromethyl)-5-iodopyridine-3-carbaldehyde
CID 118820492
6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 118999761
4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde
CID 118851864
4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbaldehyde
CID 130069917
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbaldehyde
CID 118854258
6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118814688
2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carbaldehyde
CID 118803644

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4,5-difluoropyridine-3-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-4,5-difluoropyridine-3-carbaldehyde (CID 130099857) is 6-(difluoromethyl)-4,5-difluoropyridine-3-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-4,5-difluoropyridine-3-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-4,5-difluoropyridine-3-carbaldehyde is O=Cc1cnc(C(F)F)c(F)c1F.
What is the InChIKey of 6-(difluoromethyl)-4,5-difluoropyridine-3-carbaldehyde?
The InChIKey is AEWDPSNVVHYZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4NO/c8-4-3(2-13)1-12-6(5(4)9)7(10)11/h1-2,7H.
What are the key properties of 6-(difluoromethyl)-4,5-difluoropyridine-3-carbaldehyde?
6-(difluoromethyl)-4,5-difluoropyridine-3-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)-4,5-difluoropyridine-3-carbaldehyde is sourced from PubChem (CID 130099857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).