2-phenyl-7-[4-(trifluoromethyl)anilino]thieno[3,2-b]pyridin-3-ol

C20H13F3N2OS — CID 134962417

IUPAC2-phenyl-7-[4-(trifluoromethyl)anilino]thieno[3,2-b]pyridin-3-ol
SMILESOc1c(-c2ccccc2)sc2c(Nc3ccc(C(F)(F)F)cc3)ccnc12
InChIInChI=1S/C20H13F3N2OS/c21-20(22,23)13-6-8-14(9-7-13)25-15-10-11-24-16-17(26)18(27-19(15)16)12-4-2-1-3-5-12/h1-11,26H,(H,24,25)
InChIKeyNTHJWUUVBNDLHZ-UHFFFAOYSA-N
MW386.40 g/mol
LogP6.43
Rot. Bonds3

About 2-phenyl-7-[4-(trifluoromethyl)anilino]thieno[3,2-b]pyridin-3-ol

2-phenyl-7-[4-(trifluoromethyl)anilino]thieno[3,2-b]pyridin-3-ol (PubChem CID 134962417) has the molecular formula C20H13F3N2OS and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-phenyl-7-[4-(trifluoromethyl)anilino]thieno[3,2-b]pyridin-3-ol.

Molecular Properties

Compound Name2-phenyl-7-[4-(trifluoromethyl)anilino]thieno[3,2-b]pyridin-3-ol
PubChem CID134962417
Molecular FormulaC20H13F3N2OS
Molecular Weight386.40 g/mol
Exact Mass386.07
IUPAC Name2-phenyl-7-[4-(trifluoromethyl)anilino]thieno[3,2-b]pyridin-3-ol
SMILESOc1c(-c2ccccc2)sc2c(Nc3ccc(C(F)(F)F)cc3)ccnc12
InChIInChI=1S/C20H13F3N2OS/c21-20(22,23)13-6-8-14(9-7-13)25-15-10-11-24-16-17(26)18(27-19(15)16)12-4-2-1-3-5-12/h1-11,26H,(H,24,25)
InChIKeyNTHJWUUVBNDLHZ-UHFFFAOYSA-N
XLogP6.43
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.40
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-[4-(trifluoromethyl)anilino]thieno[3,2-b]pyridin-3-ol?
The IUPAC name of 2-phenyl-7-[4-(trifluoromethyl)anilino]thieno[3,2-b]pyridin-3-ol (CID 134962417) is 2-phenyl-7-[4-(trifluoromethyl)anilino]thieno[3,2-b]pyridin-3-ol.
What is the SMILES notation for 2-phenyl-7-[4-(trifluoromethyl)anilino]thieno[3,2-b]pyridin-3-ol?
The canonical SMILES for 2-phenyl-7-[4-(trifluoromethyl)anilino]thieno[3,2-b]pyridin-3-ol is Oc1c(-c2ccccc2)sc2c(Nc3ccc(C(F)(F)F)cc3)ccnc12.
What is the InChIKey of 2-phenyl-7-[4-(trifluoromethyl)anilino]thieno[3,2-b]pyridin-3-ol?
The InChIKey is NTHJWUUVBNDLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2OS/c21-20(22,23)13-6-8-14(9-7-13)25-15-10-11-24-16-17(26)18(27-19(15)16)12-4-2-1-3-5-12/h1-11,26H,(H,24,25).
What are the key properties of 2-phenyl-7-[4-(trifluoromethyl)anilino]thieno[3,2-b]pyridin-3-ol?
2-phenyl-7-[4-(trifluoromethyl)anilino]thieno[3,2-b]pyridin-3-ol has a molecular weight of 386.40 g/mol, XLogP of 6.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-[4-(trifluoromethyl)anilino]thieno[3,2-b]pyridin-3-ol is sourced from PubChem (CID 134962417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).