5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C14H12ClF3N2S — CID 18270968

IUPAC5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC1c2ccsc2CCN1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H12ClF3N2S/c1-8-10-3-5-21-12(10)2-4-20(8)13-11(15)6-9(7-19-13)14(16,17)18/h3,5-8H,2,4H2,1H3
InChIKeyGIKKFCDOSCECKB-UHFFFAOYSA-N
MW332.78 g/mol
LogP4.94
Rot. Bonds1

About 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 18270968) has the molecular formula C14H12ClF3N2S and a molecular weight of 332.78 g/mol. Its IUPAC name is 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID18270968
Molecular FormulaC14H12ClF3N2S
Molecular Weight332.78 g/mol
Exact Mass332.04
IUPAC Name5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC1c2ccsc2CCN1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H12ClF3N2S/c1-8-10-3-5-21-12(10)2-4-20(8)13-11(15)6-9(7-19-13)14(16,17)18/h3,5-8H,2,4H2,1H3
InChIKeyGIKKFCDOSCECKB-UHFFFAOYSA-N
XLogP4.94
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.78
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 18270968) is 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is CC1c2ccsc2CCN1c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is GIKKFCDOSCECKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2S/c1-8-10-3-5-21-12(10)2-4-20(8)13-11(15)6-9(7-19-13)14(16,17)18/h3,5-8H,2,4H2,1H3.
What are the key properties of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 332.78 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 18270968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).