(3-fluoro-1-hydroxypyridin-1-ium-2-yl)-naphthalen-2-ylmethanone;(3-fluoro-6-isocyano-2-pyridinyl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanone;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine

C94H61F5N11O7+ — CID 160955878

About (3-fluoro-1-hydroxypyridin-1-ium-2-yl)-naphthalen-2-ylmethanone;(3-fluoro-6-isocyano-2-pyridinyl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanone;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine

(3-fluoro-1-hydroxypyridin-1-ium-2-yl)-naphthalen-2-ylmethanone;(3-fluoro-6-isocyano-2-pyridinyl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanone;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 160955878) has the molecular formula C94H61F5N11O7+ and a molecular weight of 1551.58 g/mol. Its IUPAC name is (3-fluoro-1-hydroxypyridin-1-ium-2-yl)-naphthalen-2-ylmethanone;(3-fluoro-6-isocyano-2-pyridinyl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanone;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: (3-fluoro-1-hydroxypyridin-1-ium-2-yl)-naphthalen-2-ylmethanone;(3-fluoro-6-isocyano-2-pyridinyl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanone;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 160955878
• Molecular Formula: C94H61F5N11O7+
• Molecular Weight: 1551.58 g/mol
• Exact Mass: 1550.47
• IUPAC Name: (3-fluoro-1-hydroxypyridin-1-ium-2-yl)-naphthalen-2-ylmethanone;(3-fluoro-6-isocyano-2-pyridinyl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanone;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine
• SMILES: O=C(O)c1ccc2[nH]nc(-c3cccc(F)c3)c2n1.O=C(c1ccc2ccccc2c1)c1c(F)ccc[n+]1O.O=C(c1ccc2ccccc2c1)c1ncccc1F.OC(c1ccc2ccccc2c1)c1ncccc1F.[C-]#[N+]c1ccc(F)c(C(=O)c2ccc3ccccc3c2)n1.c1ccc2cc(-c3n[nH]c4cccnc34)ccc2c1
• InChI: InChI=1S/C17H9FN2O.C16H11FNO2.C16H12FNO.C16H10FNO.C16H11N3.C13H8FN3O2/c1-19-15-9-8-14(18)16(20-15)17(21)13-7-6-11-4-2-3-5-12(11)10-13;17-14-6-3-9-18(20)15(14)16(19)13-8-7-11-4-1-2-5-12(11)10-13;2*17-14-6-3-9-18-15(14)16(19)13-8-7-11-4-1-2-5-12(11)10-13;1-2-5-12-10-13(8-7-11(12)4-1)15-16-14(18-19-15)6-3-9-17-16;14-8-3-1-2-7(6-8)11-12-9(16-17-11)4-5-10(15-12)13(18)19/h2-10H;1-10,20H;1-10,16,19H;1-10H;1-10H,(H,18,19);1-6H,(H,16,17)(H,18,19)/q;+1
• InChIKey: WQNGGFPWNMJEJX-UHFFFAOYSA-N
• XLogP: 20.19
• TPSA: 259.02 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1551.58
LogP ≤ 5	20.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-1-hydroxypyridin-1-ium-2-yl)-naphthalen-2-ylmethanone;(3-fluoro-6-isocyano-2-pyridinyl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanone;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine?

The IUPAC name of (3-fluoro-1-hydroxypyridin-1-ium-2-yl)-naphthalen-2-ylmethanone;(3-fluoro-6-isocyano-2-pyridinyl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanone;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine (CID 160955878) is (3-fluoro-1-hydroxypyridin-1-ium-2-yl)-naphthalen-2-ylmethanone;(3-fluoro-6-isocyano-2-pyridinyl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanone;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine.

What is the SMILES notation for (3-fluoro-1-hydroxypyridin-1-ium-2-yl)-naphthalen-2-ylmethanone;(3-fluoro-6-isocyano-2-pyridinyl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanone;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine?

The canonical SMILES for (3-fluoro-1-hydroxypyridin-1-ium-2-yl)-naphthalen-2-ylmethanone;(3-fluoro-6-isocyano-2-pyridinyl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanone;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine is O=C(O)c1ccc2[nH]nc(-c3cccc(F)c3)c2n1.O=C(c1ccc2ccccc2c1)c1c(F)ccc[n+]1O.O=C(c1ccc2ccccc2c1)c1ncccc1F.OC(c1ccc2ccccc2c1)c1ncccc1F.[C-]#[N+]c1ccc(F)c(C(=O)c2ccc3ccccc3c2)n1.c1ccc2cc(-c3n[nH]c4cccnc34)ccc2c1.

What is the InChIKey of (3-fluoro-1-hydroxypyridin-1-ium-2-yl)-naphthalen-2-ylmethanone;(3-fluoro-6-isocyano-2-pyridinyl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanone;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine?

The InChIKey is WQNGGFPWNMJEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9FN2O.C16H11FNO2.C16H12FNO.C16H10FNO.C16H11N3.C13H8FN3O2/c1-19-15-9-8-14(18)16(20-15)17(21)13-7-6-11-4-2-3-5-12(11)10-13;17-14-6-3-9-18(20)15(14)16(19)13-8-7-11-4-1-2-5-12(11)10-13;2*17-14-6-3-9-18-15(14)16(19)13-8-7-11-4-1-2-5-12(11)10-13;1-2-5-12-10-13(8-7-11(12)4-1)15-16-14(18-19-15)6-3-9-17-16;14-8-3-1-2-7(6-8)11-12-9(16-17-11)4-5-10(15-12)13(18)19/h2-10H;1-10,20H;1-10,16,19H;1-10H;1-10H,(H,18,19);1-6H,(H,16,17)(H,18,19)/q;+1;;;;.

What are the key properties of (3-fluoro-1-hydroxypyridin-1-ium-2-yl)-naphthalen-2-ylmethanone;(3-fluoro-6-isocyano-2-pyridinyl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanone;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine?

(3-fluoro-1-hydroxypyridin-1-ium-2-yl)-naphthalen-2-ylmethanone;(3-fluoro-6-isocyano-2-pyridinyl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanone;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 1551.58 g/mol, XLogP of 20.19, 11 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (3-fluoro-1-hydroxypyridin-1-ium-2-yl)-naphthalen-2-ylmethanone;(3-fluoro-6-isocyano-2-pyridinyl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanone;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 160955878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).