2-(difluoromethyl)-4-fluoro-6-methylpyridine-3-carbaldehyde

C8H6F3NO — CID 118820382

IUPAC2-(difluoromethyl)-4-fluoro-6-methylpyridine-3-carbaldehyde
SMILESCc1cc(F)c(C=O)c(C(F)F)n1
InChIInChI=1S/C8H6F3NO/c1-4-2-6(9)5(3-13)7(12-4)8(10)11/h2-3,8H,1H3
InChIKeyXUXTVSSIUDQTOX-UHFFFAOYSA-N
MW189.14 g/mol
LogP2.28
Rot. Bonds2

About 2-(difluoromethyl)-4-fluoro-6-methylpyridine-3-carbaldehyde

2-(difluoromethyl)-4-fluoro-6-methylpyridine-3-carbaldehyde (PubChem CID 118820382) has the molecular formula C8H6F3NO and a molecular weight of 189.14 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-fluoro-6-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(difluoromethyl)-4-fluoro-6-methylpyridine-3-carbaldehyde
PubChem CID118820382
Molecular FormulaC8H6F3NO
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC Name2-(difluoromethyl)-4-fluoro-6-methylpyridine-3-carbaldehyde
SMILESCc1cc(F)c(C=O)c(C(F)F)n1
InChIInChI=1S/C8H6F3NO/c1-4-2-6(9)5(3-13)7(12-4)8(10)11/h2-3,8H,1H3
InChIKeyXUXTVSSIUDQTOX-UHFFFAOYSA-N
XLogP2.28
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 52.28
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-(bromomethyl)-2-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde
CID 130081885
6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde
CID 130081136
2-(difluoromethyl)-4-fluoro-6-methylpyridine-3-sulfonamide
CID 118837502
3-(difluoromethyl)-4-fluoro-6-methylpyridine-2-carbaldehyde
CID 130081152
2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carbaldehyde
CID 118803644
6-(difluoromethyl)-3,5-difluoropyridine-2-carbaldehyde
CID 130099862
4-(difluoromethyl)-3-formyl-6-methylpyridine-2-carbonitrile
CID 119002592
2-(difluoromethyl)-3,6-difluoro-5-methylpyridine
CID 130099696
2-(difluoromethyl)-3-methoxy-4,6-dimethylpyridine
CID 130101193
3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 130090489
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbaldehyde
CID 118854258
[2-(difluoromethyl)-3-fluoro-6-methyl-4-pyridinyl]methanamine
CID 118807137

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-fluoro-6-methylpyridine-3-carbaldehyde?
The IUPAC name of 2-(difluoromethyl)-4-fluoro-6-methylpyridine-3-carbaldehyde (CID 118820382) is 2-(difluoromethyl)-4-fluoro-6-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 2-(difluoromethyl)-4-fluoro-6-methylpyridine-3-carbaldehyde?
The canonical SMILES for 2-(difluoromethyl)-4-fluoro-6-methylpyridine-3-carbaldehyde is Cc1cc(F)c(C=O)c(C(F)F)n1.
What is the InChIKey of 2-(difluoromethyl)-4-fluoro-6-methylpyridine-3-carbaldehyde?
The InChIKey is XUXTVSSIUDQTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO/c1-4-2-6(9)5(3-13)7(12-4)8(10)11/h2-3,8H,1H3.
What are the key properties of 2-(difluoromethyl)-4-fluoro-6-methylpyridine-3-carbaldehyde?
2-(difluoromethyl)-4-fluoro-6-methylpyridine-3-carbaldehyde has a molecular weight of 189.14 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-fluoro-6-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 118820382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).