2-(5,6-dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline

C17H13F3N2 — CID 90246836

IUPAC2-(5,6-dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline
SMILESCc1ccc(-c2ccc3cc(C(F)(F)F)ccc3n2)nc1C
InChIInChI=1S/C17H13F3N2/c1-10-3-6-15(21-11(10)2)16-7-4-12-9-13(17(18,19)20)5-8-14(12)22-16/h3-9H,1-2H3
InChIKeyDUYXWYFRRFPBAI-UHFFFAOYSA-N
MW302.30 g/mol
LogP4.93
Rot. Bonds1

About 2-(5,6-dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline

2-(5,6-dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline (PubChem CID 90246836) has the molecular formula C17H13F3N2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-(5,6-dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-(5,6-dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline
PubChem CID90246836
Molecular FormulaC17H13F3N2
Molecular Weight302.30 g/mol
Exact Mass302.10
IUPAC Name2-(5,6-dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline
SMILESCc1ccc(-c2ccc3cc(C(F)(F)F)ccc3n2)nc1C
InChIInChI=1S/C17H13F3N2/c1-10-3-6-15(21-11(10)2)16-7-4-12-9-13(17(18,19)20)5-8-14(12)22-16/h3-9H,1-2H3
InChIKeyDUYXWYFRRFPBAI-UHFFFAOYSA-N
XLogP4.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline?
The IUPAC name of 2-(5,6-dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline (CID 90246836) is 2-(5,6-dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-(5,6-dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline?
The canonical SMILES for 2-(5,6-dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline is Cc1ccc(-c2ccc3cc(C(F)(F)F)ccc3n2)nc1C.
What is the InChIKey of 2-(5,6-dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline?
The InChIKey is DUYXWYFRRFPBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2/c1-10-3-6-15(21-11(10)2)16-7-4-12-9-13(17(18,19)20)5-8-14(12)22-16/h3-9H,1-2H3.
What are the key properties of 2-(5,6-dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline?
2-(5,6-dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline has a molecular weight of 302.30 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline is sourced from PubChem (CID 90246836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).