3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile

C15H8F3N3S — CID 712450

IUPAC3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
SMILESN#Cc1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C15H8F3N3S/c16-15(17,18)9-6-10(8-4-2-1-3-5-8)21-14-12(9)13(20)11(7-19)22-14/h1-6H,20H2
InChIKeyNIZDSIGQLYCWQN-UHFFFAOYSA-N
MW319.31 g/mol
LogP4.44
Rot. Bonds1

About 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile

3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 712450) has the molecular formula C15H8F3N3S and a molecular weight of 319.31 g/mol. Its IUPAC name is 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
PubChem CID712450
Molecular FormulaC15H8F3N3S
Molecular Weight319.31 g/mol
Exact Mass319.04
IUPAC Name3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
SMILESN#Cc1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C15H8F3N3S/c16-15(17,18)9-6-10(8-4-2-1-3-5-8)21-14-12(9)13(20)11(7-19)22-14/h1-6H,20H2
InChIKeyNIZDSIGQLYCWQN-UHFFFAOYSA-N
XLogP4.44
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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US9790233, ID SW208079
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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile (CID 712450) is 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile is N#Cc1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N.
What is the InChIKey of 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is NIZDSIGQLYCWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3S/c16-15(17,18)9-6-10(8-4-2-1-3-5-8)21-14-12(9)13(20)11(7-19)22-14/h1-6H,20H2.
What are the key properties of 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile?
3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 319.31 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 712450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).