5,6,7-trifluoroquinoline-2-carbonitrile

C10H3F3N2 — CID 102941305

IUPAC5,6,7-trifluoroquinoline-2-carbonitrile
SMILESN#Cc1ccc2c(F)c(F)c(F)cc2n1
InChIInChI=1S/C10H3F3N2/c11-7-3-8-6(9(12)10(7)13)2-1-5(4-14)15-8/h1-3H
InChIKeyADWANGGXQZHJPH-UHFFFAOYSA-N
MW208.14 g/mol
LogP2.52
Rot. Bonds

About 5,6,7-trifluoroquinoline-2-carbonitrile

5,6,7-trifluoroquinoline-2-carbonitrile (PubChem CID 102941305) has the molecular formula C10H3F3N2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 5,6,7-trifluoroquinoline-2-carbonitrile.

Molecular Properties

Compound Name5,6,7-trifluoroquinoline-2-carbonitrile
PubChem CID102941305
Molecular FormulaC10H3F3N2
Molecular Weight208.14 g/mol
Exact Mass208.02
IUPAC Name5,6,7-trifluoroquinoline-2-carbonitrile
SMILESN#Cc1ccc2c(F)c(F)c(F)cc2n1
InChIInChI=1S/C10H3F3N2/c11-7-3-8-6(9(12)10(7)13)2-1-5(4-14)15-8/h1-3H
InChIKeyADWANGGXQZHJPH-UHFFFAOYSA-N
XLogP2.52
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7-trifluoroquinoline-2-carbonitrile?
The IUPAC name of 5,6,7-trifluoroquinoline-2-carbonitrile (CID 102941305) is 5,6,7-trifluoroquinoline-2-carbonitrile.
What is the SMILES notation for 5,6,7-trifluoroquinoline-2-carbonitrile?
The canonical SMILES for 5,6,7-trifluoroquinoline-2-carbonitrile is N#Cc1ccc2c(F)c(F)c(F)cc2n1.
What is the InChIKey of 5,6,7-trifluoroquinoline-2-carbonitrile?
The InChIKey is ADWANGGXQZHJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F3N2/c11-7-3-8-6(9(12)10(7)13)2-1-5(4-14)15-8/h1-3H.
What are the key properties of 5,6,7-trifluoroquinoline-2-carbonitrile?
5,6,7-trifluoroquinoline-2-carbonitrile has a molecular weight of 208.14 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trifluoroquinoline-2-carbonitrile is sourced from PubChem (CID 102941305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).