2-amino-8-(trifluoromethyl)quinoline-6-carbonitrile

C11H6F3N3 — CID 177288239

IUPAC2-amino-8-(trifluoromethyl)quinoline-6-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)c2nc(N)ccc2c1
InChIInChI=1S/C11H6F3N3/c12-11(13,14)8-4-6(5-15)3-7-1-2-9(16)17-10(7)8/h1-4H,(H2,16,17)
InChIKeyPFXMJTNYNDSBTE-UHFFFAOYSA-N
MW237.18 g/mol
LogP2.71
Rot. Bonds

About 2-amino-8-(trifluoromethyl)quinoline-6-carbonitrile

2-amino-8-(trifluoromethyl)quinoline-6-carbonitrile (PubChem CID 177288239) has the molecular formula C11H6F3N3 and a molecular weight of 237.18 g/mol. Its IUPAC name is 2-amino-8-(trifluoromethyl)quinoline-6-carbonitrile.

Molecular Properties

Compound Name2-amino-8-(trifluoromethyl)quinoline-6-carbonitrile
PubChem CID177288239
Molecular FormulaC11H6F3N3
Molecular Weight237.18 g/mol
Exact Mass237.05
IUPAC Name2-amino-8-(trifluoromethyl)quinoline-6-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)c2nc(N)ccc2c1
InChIInChI=1S/C11H6F3N3/c12-11(13,14)8-4-6(5-15)3-7-1-2-9(16)17-10(7)8/h1-4H,(H2,16,17)
InChIKeyPFXMJTNYNDSBTE-UHFFFAOYSA-N
XLogP2.71
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(trifluoromethyl)quinoline-6-carbonitrile?
The IUPAC name of 2-amino-8-(trifluoromethyl)quinoline-6-carbonitrile (CID 177288239) is 2-amino-8-(trifluoromethyl)quinoline-6-carbonitrile.
What is the SMILES notation for 2-amino-8-(trifluoromethyl)quinoline-6-carbonitrile?
The canonical SMILES for 2-amino-8-(trifluoromethyl)quinoline-6-carbonitrile is N#Cc1cc(C(F)(F)F)c2nc(N)ccc2c1.
What is the InChIKey of 2-amino-8-(trifluoromethyl)quinoline-6-carbonitrile?
The InChIKey is PFXMJTNYNDSBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3/c12-11(13,14)8-4-6(5-15)3-7-1-2-9(16)17-10(7)8/h1-4H,(H2,16,17).
What are the key properties of 2-amino-8-(trifluoromethyl)quinoline-6-carbonitrile?
2-amino-8-(trifluoromethyl)quinoline-6-carbonitrile has a molecular weight of 237.18 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(trifluoromethyl)quinoline-6-carbonitrile is sourced from PubChem (CID 177288239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).