2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methylpyrrol-1-yl]pyridine

C17H15FN2S — CID 171481631

IUPAC2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methylpyrrol-1-yl]pyridine
SMILESCc1ccc(SCc2ccc(F)cc2)n1-c1ccccn1
InChIInChI=1S/C17H15FN2S/c1-13-5-10-17(20(13)16-4-2-3-11-19-16)21-12-14-6-8-15(18)9-7-14/h2-11H,12H2,1H3
InChIKeySSASDHABZPVFTL-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.61
Rot. Bonds4

About 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methylpyrrol-1-yl]pyridine

2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methylpyrrol-1-yl]pyridine (PubChem CID 171481631) has the molecular formula C17H15FN2S and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methylpyrrol-1-yl]pyridine.

Molecular Properties

Compound Name2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methylpyrrol-1-yl]pyridine
PubChem CID171481631
Molecular FormulaC17H15FN2S
Molecular Weight298.39 g/mol
Exact Mass298.09
IUPAC Name2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methylpyrrol-1-yl]pyridine
SMILESCc1ccc(SCc2ccc(F)cc2)n1-c1ccccn1
InChIInChI=1S/C17H15FN2S/c1-13-5-10-17(20(13)16-4-2-3-11-19-16)21-12-14-6-8-15(18)9-7-14/h2-11H,12H2,1H3
InChIKeySSASDHABZPVFTL-UHFFFAOYSA-N
XLogP4.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
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(3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-yl)-amine
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N-(6-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
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N-(4-Fluorophenyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
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(5-Methyl-pyridin-2-yl)-(4-phenyl-thiazol-2-yl)-amine
CID 972993
(4-(4-Fluorophenyl)(2,5-thiazolyl))-2-pyridylamine
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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methylpyrrol-1-yl]pyridine?
The IUPAC name of 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methylpyrrol-1-yl]pyridine (CID 171481631) is 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methylpyrrol-1-yl]pyridine.
What is the SMILES notation for 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methylpyrrol-1-yl]pyridine?
The canonical SMILES for 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methylpyrrol-1-yl]pyridine is Cc1ccc(SCc2ccc(F)cc2)n1-c1ccccn1.
What is the InChIKey of 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methylpyrrol-1-yl]pyridine?
The InChIKey is SSASDHABZPVFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2S/c1-13-5-10-17(20(13)16-4-2-3-11-19-16)21-12-14-6-8-15(18)9-7-14/h2-11H,12H2,1H3.
What are the key properties of 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methylpyrrol-1-yl]pyridine?
2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methylpyrrol-1-yl]pyridine has a molecular weight of 298.39 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-methylpyrrol-1-yl]pyridine is sourced from PubChem (CID 171481631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).