2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine

C14H7F3NS- — CID 102087186

IUPAC2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2[c-]c3ccccc3s2)nc1
InChIInChI=1S/C14H7F3NS/c15-14(16,17)10-5-6-11(18-8-10)13-7-9-3-1-2-4-12(9)19-13/h1-6,8H/q-1
InChIKeyGMOLCWZBVNLNSR-UHFFFAOYSA-N
MW278.28 g/mol
LogP4.78
Rot. Bonds1

About 2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine

2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine (PubChem CID 102087186) has the molecular formula C14H7F3NS- and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine
PubChem CID102087186
Molecular FormulaC14H7F3NS-
Molecular Weight278.28 g/mol
Exact Mass278.03
IUPAC Name2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2[c-]c3ccccc3s2)nc1
InChIInChI=1S/C14H7F3NS/c15-14(16,17)10-5-6-11(18-8-10)13-7-9-3-1-2-4-12(9)19-13/h1-6,8H/q-1
InChIKeyGMOLCWZBVNLNSR-UHFFFAOYSA-N
XLogP4.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(2,4-difluorostyryl)-5-(phenylsulfinyl)pyridine
CID 21099470
2-[(E)-2-(2,4-difluorophenyl)vinyl]-5-(phenylsulfonyl)pyridine
CID 21099472
Pyridine, 2-(4-trifluoromethylbenzylthio)-
CID 556666
2-{2-[(4-Fluorophenyl)sulfanyl]ethyl}pyridine
CID 761521
4-(2-(Phenylthio)ethyl)pyridine
CID 88779
2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}pyridine
CID 5713317
(E)-2-(4-fluorostyryl)-5-(phenylsulfonyl)pyridine
CID 44439376
(E)-2-(4-fluorostyryl)-5-(phenylsulfinyl)pyridine
CID 44439386
3-[(4-Aminophenyl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile
CID 1473758
2-(4-Fluorophenethyl)-5-(4-fluorophenylsulfonyl)pyridine
CID 21099413
(E)-2-(2,4-difluorostyryl)-5-(2-fluorophenylsulfinyl)pyridine
CID 21099463
(E)-2-(2,4-difluorostyryl)-5-(2-fluorophenylsulfonyl)pyridine
CID 21099465

Frequently Asked Questions

What is the IUPAC name of 2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine (CID 102087186) is 2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(-c2[c-]c3ccccc3s2)nc1.
What is the InChIKey of 2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is GMOLCWZBVNLNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3NS/c15-14(16,17)10-5-6-11(18-8-10)13-7-9-3-1-2-4-12(9)19-13/h1-6,8H/q-1.
What are the key properties of 2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine?
2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 278.28 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 102087186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).