2-methyl-5-(trifluoromethyl)quinoline-4-carbonitrile

C12H7F3N2 — CID 82573311

IUPAC2-methyl-5-(trifluoromethyl)quinoline-4-carbonitrile
SMILESCc1cc(C#N)c2c(C(F)(F)F)cccc2n1
InChIInChI=1S/C12H7F3N2/c1-7-5-8(6-16)11-9(12(13,14)15)3-2-4-10(11)17-7/h2-5H,1H3
InChIKeyITBMZZBWNRJRTQ-UHFFFAOYSA-N
MW236.20 g/mol
LogP3.43
Rot. Bonds

About 2-methyl-5-(trifluoromethyl)quinoline-4-carbonitrile

2-methyl-5-(trifluoromethyl)quinoline-4-carbonitrile (PubChem CID 82573311) has the molecular formula C12H7F3N2 and a molecular weight of 236.20 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)quinoline-4-carbonitrile
PubChem CID82573311
Molecular FormulaC12H7F3N2
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name2-methyl-5-(trifluoromethyl)quinoline-4-carbonitrile
SMILESCc1cc(C#N)c2c(C(F)(F)F)cccc2n1
InChIInChI=1S/C12H7F3N2/c1-7-5-8(6-16)11-9(12(13,14)15)3-2-4-10(11)17-7/h2-5H,1H3
InChIKeyITBMZZBWNRJRTQ-UHFFFAOYSA-N
XLogP3.43
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)quinoline-4-carbonitrile?
The IUPAC name of 2-methyl-5-(trifluoromethyl)quinoline-4-carbonitrile (CID 82573311) is 2-methyl-5-(trifluoromethyl)quinoline-4-carbonitrile.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)quinoline-4-carbonitrile?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)quinoline-4-carbonitrile is Cc1cc(C#N)c2c(C(F)(F)F)cccc2n1.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)quinoline-4-carbonitrile?
The InChIKey is ITBMZZBWNRJRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2/c1-7-5-8(6-16)11-9(12(13,14)15)3-2-4-10(11)17-7/h2-5H,1H3.
What are the key properties of 2-methyl-5-(trifluoromethyl)quinoline-4-carbonitrile?
2-methyl-5-(trifluoromethyl)quinoline-4-carbonitrile has a molecular weight of 236.20 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)quinoline-4-carbonitrile is sourced from PubChem (CID 82573311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).