(5-amino-2-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-fluoro-5-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;1H-pyrrolo[2,3-b]pyridine

C50H36F3N11O7S — CID 157202306

About (5-amino-2-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-fluoro-5-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;1H-pyrrolo[2,3-b]pyridine

(5-amino-2-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-fluoro-5-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;1H-pyrrolo[2,3-b]pyridine (PubChem CID 157202306) has the molecular formula C50H36F3N11O7S and a molecular weight of 991.97 g/mol. Its IUPAC name is (5-amino-2-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-fluoro-5-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: (5-amino-2-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-fluoro-5-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 157202306
• Molecular Formula: C50H36F3N11O7S
• Molecular Weight: 991.97 g/mol
• Exact Mass: 991.25
• IUPAC Name: (5-amino-2-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-fluoro-5-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;1H-pyrrolo[2,3-b]pyridine
• SMILES: CS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncccc23)c1.Nc1ccc(F)c(C(=O)c2c[nH]c3ncccc23)c1.O=C(c1cc([N+](=O)[O-])ccc1F)c1c[nH]c2ncccc12.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C15H12FN3O3S.C14H8FN3O3.C14H10FN3O.C7H6N2/c1-23(21,22)19-9-4-5-13(16)11(7-9)14(20)12-8-18-15-10(12)3-2-6-17-15;15-12-4-3-8(18(20)21)6-10(12)13(19)11-7-17-14-9(11)2-1-5-16-14;15-12-4-3-8(16)6-10(12)13(19)11-7-18-14-9(11)2-1-5-17-14;1-2-6-3-5-9-7(6)8-4-1/h2-8,19H,1H3,(H,17,18);1-7H,(H,16,17);1-7H,16H2,(H,17,18);1-5H,(H,8,9)
• InChIKey: AQYAGLBNVWUACI-UHFFFAOYSA-N
• XLogP: 9.22
• TPSA: 281.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	991.97
LogP ≤ 5	9.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-fluoro-5-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of (5-amino-2-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-fluoro-5-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;1H-pyrrolo[2,3-b]pyridine (CID 157202306) is (5-amino-2-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-fluoro-5-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for (5-amino-2-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-fluoro-5-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for (5-amino-2-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-fluoro-5-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;1H-pyrrolo[2,3-b]pyridine is CS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncccc23)c1.Nc1ccc(F)c(C(=O)c2c[nH]c3ncccc23)c1.O=C(c1cc([N+](=O)[O-])ccc1F)c1c[nH]c2ncccc12.c1cnc2[nH]ccc2c1.

What is the InChIKey of (5-amino-2-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-fluoro-5-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;1H-pyrrolo[2,3-b]pyridine?

The InChIKey is AQYAGLBNVWUACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S.C14H8FN3O3.C14H10FN3O.C7H6N2/c1-23(21,22)19-9-4-5-13(16)11(7-9)14(20)12-8-18-15-10(12)3-2-6-17-15;15-12-4-3-8(18(20)21)6-10(12)13(19)11-7-17-14-9(11)2-1-5-16-14;15-12-4-3-8(16)6-10(12)13(19)11-7-18-14-9(11)2-1-5-17-14;1-2-6-3-5-9-7(6)8-4-1/h2-8,19H,1H3,(H,17,18);1-7H,(H,16,17);1-7H,16H2,(H,17,18);1-5H,(H,8,9).

What are the key properties of (5-amino-2-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-fluoro-5-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;1H-pyrrolo[2,3-b]pyridine?

(5-amino-2-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-fluoro-5-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 991.97 g/mol, XLogP of 9.22, 9 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (5-amino-2-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-fluoro-5-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157202306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).