6-thiophen-2-yl-2-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromen-4-one

C19H12F3NO2S — CID 134958029

IUPAC6-thiophen-2-yl-2-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cc(C(F)(F)F)ccn2)Oc2ccc(-c3cccs3)cc21
InChIInChI=1S/C19H12F3NO2S/c20-19(21,22)12-5-6-23-14(9-12)17-10-15(24)13-8-11(3-4-16(13)25-17)18-2-1-7-26-18/h1-9,17H,10H2
InChIKeySMQXTXHQRRFTPZ-UHFFFAOYSA-N
MW375.37 g/mol
LogP5.54
Rot. Bonds2

About 6-thiophen-2-yl-2-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromen-4-one

6-thiophen-2-yl-2-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromen-4-one (PubChem CID 134958029) has the molecular formula C19H12F3NO2S and a molecular weight of 375.37 g/mol. Its IUPAC name is 6-thiophen-2-yl-2-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-thiophen-2-yl-2-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromen-4-one
PubChem CID134958029
Molecular FormulaC19H12F3NO2S
Molecular Weight375.37 g/mol
Exact Mass375.05
IUPAC Name6-thiophen-2-yl-2-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cc(C(F)(F)F)ccn2)Oc2ccc(-c3cccs3)cc21
InChIInChI=1S/C19H12F3NO2S/c20-19(21,22)12-5-6-23-14(9-12)17-10-15(24)13-8-11(3-4-16(13)25-17)18-2-1-7-26-18/h1-9,17H,10H2
InChIKeySMQXTXHQRRFTPZ-UHFFFAOYSA-N
XLogP5.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.37
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-thiophen-2-yl-2-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-thiophen-2-yl-2-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromen-4-one?
The IUPAC name of 6-thiophen-2-yl-2-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromen-4-one (CID 134958029) is 6-thiophen-2-yl-2-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-thiophen-2-yl-2-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-thiophen-2-yl-2-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromen-4-one is O=C1CC(c2cc(C(F)(F)F)ccn2)Oc2ccc(-c3cccs3)cc21.
What is the InChIKey of 6-thiophen-2-yl-2-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromen-4-one?
The InChIKey is SMQXTXHQRRFTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3NO2S/c20-19(21,22)12-5-6-23-14(9-12)17-10-15(24)13-8-11(3-4-16(13)25-17)18-2-1-7-26-18/h1-9,17H,10H2.
What are the key properties of 6-thiophen-2-yl-2-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromen-4-one?
6-thiophen-2-yl-2-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromen-4-one has a molecular weight of 375.37 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-yl-2-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 134958029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).