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

C8H6F3NO — CID 130081152

IUPAC3-(difluoromethyl)-4-fluoro-6-methylpyridine-2-carbaldehyde
SMILESCc1cc(F)c(C(F)F)c(C=O)n1
InChIInChI=1S/C8H6F3NO/c1-4-2-5(9)7(8(10)11)6(3-13)12-4/h2-3,8H,1H3
InChIKeyVUHCVGPJROTBKR-UHFFFAOYSA-N
MW189.14 g/mol
LogP2.28
Rot. Bonds2

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

3-(difluoromethyl)-4-fluoro-6-methylpyridine-2-carbaldehyde (PubChem CID 130081152) has the molecular formula C8H6F3NO and a molecular weight of 189.14 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-fluoro-6-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(difluoromethyl)-4-fluoro-6-methylpyridine-2-carbaldehyde
PubChem CID130081152
Molecular FormulaC8H6F3NO
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC Name3-(difluoromethyl)-4-fluoro-6-methylpyridine-2-carbaldehyde
SMILESCc1cc(F)c(C(F)F)c(C=O)n1
InChIInChI=1S/C8H6F3NO/c1-4-2-5(9)7(8(10)11)6(3-13)12-4/h2-3,8H,1H3
InChIKeyVUHCVGPJROTBKR-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-amino-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 130104210
6-(bromomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 130081881
2-(difluoromethyl)-4-fluoro-6-methylpyridine-3-carbaldehyde
CID 118820382
6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde
CID 130081136
3-(difluoromethyl)-4-fluoro-6-methylpyridine-2-carboxamide
CID 130081330
2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbaldehyde
CID 119005034
4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130073333
3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde
CID 130109704
4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde
CID 118829503
6-(difluoromethyl)-3,5-difluoropyridine-2-carbaldehyde
CID 130099862
6-chloro-3-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130073307
4-bromo-3-(difluoromethyl)-6-nitropyridine-2-carbaldehyde
CID 118851470

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-fluoro-6-methylpyridine-2-carbaldehyde?
The IUPAC name of 3-(difluoromethyl)-4-fluoro-6-methylpyridine-2-carbaldehyde (CID 130081152) is 3-(difluoromethyl)-4-fluoro-6-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 3-(difluoromethyl)-4-fluoro-6-methylpyridine-2-carbaldehyde?
The canonical SMILES for 3-(difluoromethyl)-4-fluoro-6-methylpyridine-2-carbaldehyde is Cc1cc(F)c(C(F)F)c(C=O)n1.
What is the InChIKey of 3-(difluoromethyl)-4-fluoro-6-methylpyridine-2-carbaldehyde?
The InChIKey is VUHCVGPJROTBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO/c1-4-2-5(9)7(8(10)11)6(3-13)12-4/h2-3,8H,1H3.
What are the key properties of 3-(difluoromethyl)-4-fluoro-6-methylpyridine-2-carbaldehyde?
3-(difluoromethyl)-4-fluoro-6-methylpyridine-2-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 3-(difluoromethyl)-4-fluoro-6-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 130081152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).