6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde

C8H6F3NO — CID 130081136

IUPAC6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde
SMILESCc1cc(F)c(C=O)nc1C(F)F
InChIInChI=1S/C8H6F3NO/c1-4-2-5(9)6(3-13)12-7(4)8(10)11/h2-3,8H,1H3
InChIKeyAFIGUCZTHCIXJH-UHFFFAOYSA-N
MW189.14 g/mol
LogP2.28
Rot. Bonds2

About 6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde

6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde (PubChem CID 130081136) has the molecular formula C8H6F3NO and a molecular weight of 189.14 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde
PubChem CID130081136
Molecular FormulaC8H6F3NO
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC Name6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde
SMILESCc1cc(F)c(C=O)nc1C(F)F
InChIInChI=1S/C8H6F3NO/c1-4-2-5(9)6(3-13)12-7(4)8(10)11/h2-3,8H,1H3
InChIKeyAFIGUCZTHCIXJH-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-(difluoromethyl)-3,5-difluoropyridine-2-carbaldehyde
CID 130099862
6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130082465
3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 130090489
6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde
CID 118814889
2-(difluoromethyl)-5-fluoro-6-iodo-3-methylpyridine
CID 130079892
6-chloro-3-fluoro-5-methylpyridine-2-carbaldehyde
CID 155970404
2-(difluoromethyl)-4-fluoro-6-methylpyridine-3-carbaldehyde
CID 118820382
3-(difluoromethyl)-4-fluoro-6-methylpyridine-2-carbaldehyde
CID 130081152
2-(difluoromethyl)-3,6-difluoro-5-methylpyridine
CID 130099696
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde
CID 130073315
5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130102093
5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde
CID 130085191

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde (CID 130081136) is 6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde is Cc1cc(F)c(C=O)nc1C(F)F.
What is the InChIKey of 6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde?
The InChIKey is AFIGUCZTHCIXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO/c1-4-2-5(9)6(3-13)12-7(4)8(10)11/h2-3,8H,1H3.
What are the key properties of 6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde?
6-(difluoromethyl)-3-fluoro-5-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 6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 130081136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).