2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline

C16H11F3N2 — CID 90246837

IUPAC2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline
SMILESCc1cccc(-c2ccc3cc(C(F)(F)F)ccc3n2)n1
InChIInChI=1S/C16H11F3N2/c1-10-3-2-4-14(20-10)15-7-5-11-9-12(16(17,18)19)6-8-13(11)21-15/h2-9H,1H3
InChIKeyQYBMRJMENUSKAV-UHFFFAOYSA-N
MW288.27 g/mol
LogP4.62
Rot. Bonds1

About 2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline

2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline (PubChem CID 90246837) has the molecular formula C16H11F3N2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline
PubChem CID90246837
Molecular FormulaC16H11F3N2
Molecular Weight288.27 g/mol
Exact Mass288.09
IUPAC Name2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline
SMILESCc1cccc(-c2ccc3cc(C(F)(F)F)ccc3n2)n1
InChIInChI=1S/C16H11F3N2/c1-10-3-2-4-14(20-10)15-7-5-11-9-12(16(17,18)19)6-8-13(11)21-15/h2-9H,1H3
InChIKeyQYBMRJMENUSKAV-UHFFFAOYSA-N
XLogP4.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline (CID 90246837) is 2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline is Cc1cccc(-c2ccc3cc(C(F)(F)F)ccc3n2)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline?
The InChIKey is QYBMRJMENUSKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2/c1-10-3-2-4-14(20-10)15-7-5-11-9-12(16(17,18)19)6-8-13(11)21-15/h2-9H,1H3.
What are the key properties of 2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline?
2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline has a molecular weight of 288.27 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline is sourced from PubChem (CID 90246837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).