3,5-bis(trifluoromethyl)pyridine-2-carbaldehyde

C8H3F6NO — CID 131282107

IUPAC3,5-bis(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H3F6NO/c9-7(10,11)4-1-5(8(12,13)14)6(3-16)15-2-4/h1-3H
InChIKeyHZYPMYGTUGXCNJ-UHFFFAOYSA-N
MW243.11 g/mol
LogP2.93
Rot. Bonds1

About 3,5-bis(trifluoromethyl)pyridine-2-carbaldehyde

3,5-bis(trifluoromethyl)pyridine-2-carbaldehyde (PubChem CID 131282107) has the molecular formula C8H3F6NO and a molecular weight of 243.11 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3,5-bis(trifluoromethyl)pyridine-2-carbaldehyde
PubChem CID131282107
Molecular FormulaC8H3F6NO
Molecular Weight243.11 g/mol
Exact Mass243.01
IUPAC Name3,5-bis(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H3F6NO/c9-7(10,11)4-1-5(8(12,13)14)6(3-16)15-2-4/h1-3H
InChIKeyHZYPMYGTUGXCNJ-UHFFFAOYSA-N
XLogP2.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.11
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3,5-bis(trifluoromethyl)pyridine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-3-(trifluoromethyl)pyridine-2-carbaldehyde;hydrochloride
CID 146174185
3-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 131869828
3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134621675
5-(trifluoromethyl)pyrimidine-4-carbaldehyde
CID 123604776
3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine
CID 53396566
3-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 134626315
3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133104109
5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 171753589
2-[2-acetyl-5-(trifluoromethyl)-3-pyridinyl]acetaldehyde
CID 126498057
4-(difluoromethyl)-3-methyl-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118846177
5-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 166079450
6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
CID 46856436

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 3,5-bis(trifluoromethyl)pyridine-2-carbaldehyde (CID 131282107) is 3,5-bis(trifluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 3,5-bis(trifluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 3,5-bis(trifluoromethyl)pyridine-2-carbaldehyde is O=Cc1ncc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 3,5-bis(trifluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is HZYPMYGTUGXCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6NO/c9-7(10,11)4-1-5(8(12,13)14)6(3-16)15-2-4/h1-3H.
What are the key properties of 3,5-bis(trifluoromethyl)pyridine-2-carbaldehyde?
3,5-bis(trifluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 243.11 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(trifluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 131282107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).