2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine

C15H13FN2S — CID 71013627

IUPAC2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine
SMILESCCc1cc2cc(-c3cccc(F)c3)cnc2n1S
InChIInChI=1S/C15H13FN2S/c1-2-14-8-11-6-12(9-17-15(11)18(14)19)10-4-3-5-13(16)7-10/h3-9,19H,2H2,1H3
InChIKeyWZCQLNJZEZMWFT-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.10
Rot. Bonds2

About 2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine

2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine (PubChem CID 71013627) has the molecular formula C15H13FN2S and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine
PubChem CID71013627
Molecular FormulaC15H13FN2S
Molecular Weight272.35 g/mol
Exact Mass272.08
IUPAC Name2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine
SMILESCCc1cc2cc(-c3cccc(F)c3)cnc2n1S
InChIInChI=1S/C15H13FN2S/c1-2-14-8-11-6-12(9-17-15(11)18(14)19)10-4-3-5-13(16)7-10/h3-9,19H,2H2,1H3
InChIKeyWZCQLNJZEZMWFT-UHFFFAOYSA-N
XLogP4.10
TPSA17.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-2-ethyl-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine
CID 68951720
1-butyl-5-ethyl-2-(3-fluorophenyl)imidazole
CID 142148555
3-(3-fluorophenyl)-5-methylimidazo[1,5-a]pyridine
CID 117142169
3,5-bis[3-(3-fluorophenyl)phenyl]pyridine
CID 144604637
3-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]quinoline
CID 171056620
2-fluoro-3,5-bis(3-fluorophenyl)pyridine
CID 46313566
2-chloro-5-(3-fluorophenyl)-3-methylpyridine
CID 46312013
5-(3-fluorophenyl)-1-methylindazole
CID 134375389
N,N-diethyl-3-[3-(3-fluorophenyl)quinolin-6-yl]prop-2-yn-1-amine;dihydrochloride
CID 19063700
5-bromo-3-(3-fluorophenyl)imidazo[1,5-a]pyridine
CID 117142181
5-ethyl-2-(3-fluorophenyl)-6-methyl-1H-pyrimidine-4-thione
CID 94076936
6-ethyl-2-(3-fluorophenyl)-1H-pyrimidine-4-thione
CID 94076931

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine?
The IUPAC name of 2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine (CID 71013627) is 2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine is CCc1cc2cc(-c3cccc(F)c3)cnc2n1S.
What is the InChIKey of 2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine?
The InChIKey is WZCQLNJZEZMWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2S/c1-2-14-8-11-6-12(9-17-15(11)18(14)19)10-4-3-5-13(16)7-10/h3-9,19H,2H2,1H3.
What are the key properties of 2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine?
2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine has a molecular weight of 272.35 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 71013627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).