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

C16H10F3N3OS — CID 942046

IUPAC3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
SMILESCOc1cccc(-c2cc(C(F)(F)F)c3c(N)c(C#N)sc3n2)c1
InChIInChI=1S/C16H10F3N3OS/c1-23-9-4-2-3-8(5-9)11-6-10(16(17,18)19)13-14(21)12(7-20)24-15(13)22-11/h2-6H,21H2,1H3
InChIKeySAQADRQFUNBTJR-UHFFFAOYSA-N
MW349.34 g/mol
LogP4.44
Rot. Bonds2

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

3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 942046) has the molecular formula C16H10F3N3OS and a molecular weight of 349.34 g/mol. Its IUPAC name is 3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
PubChem CID942046
Molecular FormulaC16H10F3N3OS
Molecular Weight349.34 g/mol
Exact Mass349.05
IUPAC Name3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
SMILESCOc1cccc(-c2cc(C(F)(F)F)c3c(N)c(C#N)sc3n2)c1
InChIInChI=1S/C16H10F3N3OS/c1-23-9-4-2-3-8(5-9)11-6-10(16(17,18)19)13-14(21)12(7-20)24-15(13)22-11/h2-6H,21H2,1H3
InChIKeySAQADRQFUNBTJR-UHFFFAOYSA-N
XLogP4.44
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile (CID 942046) is 3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile is COc1cccc(-c2cc(C(F)(F)F)c3c(N)c(C#N)sc3n2)c1.
What is the InChIKey of 3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is SAQADRQFUNBTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3OS/c1-23-9-4-2-3-8(5-9)11-6-10(16(17,18)19)13-14(21)12(7-20)24-15(13)22-11/h2-6H,21H2,1H3.
What are the key properties of 3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile?
3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 349.34 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 942046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).