3-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde

C13H9F3N2O — CID 88932534

IUPAC3-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde
SMILESCc1ccc(-c2ccc(C(F)(F)F)nc2)nc1C=O
InChIInChI=1S/C13H9F3N2O/c1-8-2-4-10(18-11(8)7-19)9-3-5-12(17-6-9)13(14,15)16/h2-7H,1H3
InChIKeyYJJAOKXAKZHHIG-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.28
Rot. Bonds2

About 3-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde

3-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde (PubChem CID 88932534) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is 3-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde
PubChem CID88932534
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name3-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde
SMILESCc1ccc(-c2ccc(C(F)(F)F)nc2)nc1C=O
InChIInChI=1S/C13H9F3N2O/c1-8-2-4-10(18-11(8)7-19)9-3-5-12(17-6-9)13(14,15)16/h2-7H,1H3
InChIKeyYJJAOKXAKZHHIG-UHFFFAOYSA-N
XLogP3.28
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde?
The IUPAC name of 3-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde (CID 88932534) is 3-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 3-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde?
The canonical SMILES for 3-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde is Cc1ccc(-c2ccc(C(F)(F)F)nc2)nc1C=O.
What is the InChIKey of 3-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde?
The InChIKey is YJJAOKXAKZHHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c1-8-2-4-10(18-11(8)7-19)9-3-5-12(17-6-9)13(14,15)16/h2-7H,1H3.
What are the key properties of 3-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde?
3-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde has a molecular weight of 266.22 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 88932534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).