2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde

C8H6F3NO — CID 28875322

IUPAC2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCc1nc(C(F)(F)F)ccc1C=O
InChIInChI=1S/C8H6F3NO/c1-5-6(4-13)2-3-7(12-5)8(9,10)11/h2-4H,1H3
InChIKeyHHGVNSFXEFHMGQ-UHFFFAOYSA-N
MW189.14 g/mol
LogP2.22
Rot. Bonds1

About 2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde

2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 28875322) has the molecular formula C8H6F3NO and a molecular weight of 189.14 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID28875322
Molecular FormulaC8H6F3NO
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC Name2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCc1nc(C(F)(F)F)ccc1C=O
InChIInChI=1S/C8H6F3NO/c1-5-6(4-13)2-3-7(12-5)8(9,10)11/h2-4H,1H3
InChIKeyHHGVNSFXEFHMGQ-UHFFFAOYSA-N
XLogP2.22
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 52.22
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

2-iodo-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 130922748
2,3-dimethyl-6-(trifluoromethyl)pyridine;propan-2-one
CID 143235788
7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde
CID 89187467
2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 11482301
1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 2782900
2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118819430
6-amino-5-methoxy-2-(trifluoromethyl)quinoline-7-carbaldehyde
CID 89105796
3-bromo-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118704033
2-methyl-3-methylsulfanyl-6-(trifluoromethyl)pyridine
CID 155585893
3-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyridine
CID 59834815
1-methyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde
CID 105485170
2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118819307

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde (CID 28875322) is 2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde is Cc1nc(C(F)(F)F)ccc1C=O.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is HHGVNSFXEFHMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO/c1-5-6(4-13)2-3-7(12-5)8(9,10)11/h2-4H,1H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 189.14 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 28875322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).