2-[3-(trifluoromethylsulfanyl)naphthalen-2-yl]pyridine

C16H10F3NS — CID 102340099

IUPAC2-[3-(trifluoromethylsulfanyl)naphthalen-2-yl]pyridine
SMILESFC(F)(F)Sc1cc2ccccc2cc1-c1ccccn1
InChIInChI=1S/C16H10F3NS/c17-16(18,19)21-15-10-12-6-2-1-5-11(12)9-13(15)14-7-3-4-8-20-14/h1-10H
InChIKeySGNYDDUFVBUJGQ-UHFFFAOYSA-N
MW305.32 g/mol
LogP5.51
Rot. Bonds2

About 2-[3-(trifluoromethylsulfanyl)naphthalen-2-yl]pyridine

2-[3-(trifluoromethylsulfanyl)naphthalen-2-yl]pyridine (PubChem CID 102340099) has the molecular formula C16H10F3NS and a molecular weight of 305.32 g/mol. Its IUPAC name is 2-[3-(trifluoromethylsulfanyl)naphthalen-2-yl]pyridine.

Molecular Properties

Compound Name2-[3-(trifluoromethylsulfanyl)naphthalen-2-yl]pyridine
PubChem CID102340099
Molecular FormulaC16H10F3NS
Molecular Weight305.32 g/mol
Exact Mass305.05
IUPAC Name2-[3-(trifluoromethylsulfanyl)naphthalen-2-yl]pyridine
SMILESFC(F)(F)Sc1cc2ccccc2cc1-c1ccccn1
InChIInChI=1S/C16H10F3NS/c17-16(18,19)21-15-10-12-6-2-1-5-11(12)9-13(15)14-7-3-4-8-20-14/h1-10H
InChIKeySGNYDDUFVBUJGQ-UHFFFAOYSA-N
XLogP5.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.32
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-chloro-2-(trifluoromethylsulfanyl)phenyl]pyridine
CID 132608405
ethyl 4-pyridin-2-yl-3-(trifluoromethylsulfanyl)benzoate
CID 102236679
2-(3-ethoxynaphthalen-2-yl)pyridine
CID 132851347
2-(1-pyridin-2-ylanthracen-2-yl)pyridine
CID 19367617
3-pyridin-2-yl-2-(trifluoromethyl)pyridine
CID 68525561
CID 154704206
CID 154704206
2-(3-cyclooctylnaphthalen-2-yl)pyridine
CID 102473918
2-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)pyridine
CID 174650963
(2-pyridin-2-ylphenyl) selenohypobromite
CID 102165047
4-pyridin-2-yl-2,6-bis(trifluoromethyl)pyridine
CID 122219942
2-(3-methylanthracen-1-yl)pyridine
CID 169060480
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethylsulfanyl)naphthalen-2-yl]pyridine?
The IUPAC name of 2-[3-(trifluoromethylsulfanyl)naphthalen-2-yl]pyridine (CID 102340099) is 2-[3-(trifluoromethylsulfanyl)naphthalen-2-yl]pyridine.
What is the SMILES notation for 2-[3-(trifluoromethylsulfanyl)naphthalen-2-yl]pyridine?
The canonical SMILES for 2-[3-(trifluoromethylsulfanyl)naphthalen-2-yl]pyridine is FC(F)(F)Sc1cc2ccccc2cc1-c1ccccn1.
What is the InChIKey of 2-[3-(trifluoromethylsulfanyl)naphthalen-2-yl]pyridine?
The InChIKey is SGNYDDUFVBUJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NS/c17-16(18,19)21-15-10-12-6-2-1-5-11(12)9-13(15)14-7-3-4-8-20-14/h1-10H.
What are the key properties of 2-[3-(trifluoromethylsulfanyl)naphthalen-2-yl]pyridine?
2-[3-(trifluoromethylsulfanyl)naphthalen-2-yl]pyridine has a molecular weight of 305.32 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethylsulfanyl)naphthalen-2-yl]pyridine is sourced from PubChem (CID 102340099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).