4-(6-fluoro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

C19H14FN3O2S — CID 58896987

IUPAC4-(6-fluoro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-c4cccc(F)n4)ccnc32)cc1
InChIInChI=1S/C19H14FN3O2S/c1-13-5-7-14(8-6-13)26(24,25)23-12-10-16-15(9-11-21-19(16)23)17-3-2-4-18(20)22-17/h2-12H,1H3
InChIKeyQWANCYQFZTZHTP-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.78
Rot. Bonds3

About 4-(6-fluoro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

4-(6-fluoro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (PubChem CID 58896987) has the molecular formula C19H14FN3O2S and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-(6-fluoro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(6-fluoro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
PubChem CID58896987
Molecular FormulaC19H14FN3O2S
Molecular Weight367.41 g/mol
Exact Mass367.08
IUPAC Name4-(6-fluoro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-c4cccc(F)n4)ccnc32)cc1
InChIInChI=1S/C19H14FN3O2S/c1-13-5-7-14(8-6-13)26(24,25)23-12-10-16-15(9-11-21-19(16)23)17-3-2-4-18(20)22-17/h2-12H,1H3
InChIKeyQWANCYQFZTZHTP-UHFFFAOYSA-N
XLogP3.78
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(6-fluoro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (CID 58896987) is 4-(6-fluoro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(6-fluoro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(6-fluoro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is Cc1ccc(S(=O)(=O)n2ccc3c(-c4cccc(F)n4)ccnc32)cc1.
What is the InChIKey of 4-(6-fluoro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The InChIKey is QWANCYQFZTZHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2S/c1-13-5-7-14(8-6-13)26(24,25)23-12-10-16-15(9-11-21-19(16)23)17-3-2-4-18(20)22-17/h2-12H,1H3.
What are the key properties of 4-(6-fluoro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
4-(6-fluoro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine has a molecular weight of 367.41 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58896987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).