(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanone;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[5,4-c]pyridine;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid

C78H53F8N12O6+ — CID 158298462

About (3-fluoro-1-hydroxypyridin-1-ium-4-yl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanone;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[5,4-c]pyridine;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid

(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanone;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[5,4-c]pyridine;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid (PubChem CID 158298462) has the molecular formula C78H53F8N12O6+ and a molecular weight of 1406.34 g/mol. Its IUPAC name is (3-fluoro-1-hydroxypyridin-1-ium-4-yl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanone;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[5,4-c]pyridine;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid.

Molecular Properties

• Compound Name: (3-fluoro-1-hydroxypyridin-1-ium-4-yl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanone;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[5,4-c]pyridine;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid
• PubChem CID: 158298462
• Molecular Formula: C78H53F8N12O6+
• Molecular Weight: 1406.34 g/mol
• Exact Mass: 1405.41
• IUPAC Name: (3-fluoro-1-hydroxypyridin-1-ium-4-yl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanone;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[5,4-c]pyridine;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid
• SMILES: Cn1nc(-c2cccc(F)c2)c2ccncc21.Fc1cccc(-c2n[nH]c3cnccc23)c1.O=C(O)c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2n1.O=C(c1cccc(F)c1)c1cc[n+](O)cc1F.O=C(c1cccc(F)c1)c1ccncc1F.OC(c1cccc(F)c1)c1ccncc1F
• InChI: InChI=1S/C17H11N3O2.C13H10FN3.C12H8F2NO2.C12H9F2NO.C12H7F2NO.C12H8FN3/c21-17(22)14-8-7-13-16(18-14)15(20-19-13)12-6-5-10-3-1-2-4-11(10)9-12;1-17-12-8-15-6-5-11(12)13(16-17)9-3-2-4-10(14)7-9;13-9-3-1-2-8(6-9)12(16)10-4-5-15(17)7-11(10)14;2*13-9-3-1-2-8(6-9)12(16)10-4-5-15-7-11(10)14;13-9-3-1-2-8(6-9)12-10-4-5-14-7-11(10)15-16-12/h1-9H,(H,19,20)(H,21,22);2-8H,1H3;1-7,17H;1-7,12,16H;1-7H;1-7H,(H,15,16)/q;;+1
• InChIKey: RGOFZMOQIIPSOS-UHFFFAOYSA-N
• XLogP: 15.77
• TPSA: 255.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1406.34
LogP ≤ 5	15.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'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-4-yl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanone;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[5,4-c]pyridine;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid?

The IUPAC name of (3-fluoro-1-hydroxypyridin-1-ium-4-yl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanone;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[5,4-c]pyridine;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid (CID 158298462) is (3-fluoro-1-hydroxypyridin-1-ium-4-yl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanone;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[5,4-c]pyridine;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid.

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

The canonical SMILES for (3-fluoro-1-hydroxypyridin-1-ium-4-yl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanone;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[5,4-c]pyridine;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid is Cn1nc(-c2cccc(F)c2)c2ccncc21.Fc1cccc(-c2n[nH]c3cnccc23)c1.O=C(O)c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2n1.O=C(c1cccc(F)c1)c1cc[n+](O)cc1F.O=C(c1cccc(F)c1)c1ccncc1F.OC(c1cccc(F)c1)c1ccncc1F.

What is the InChIKey of (3-fluoro-1-hydroxypyridin-1-ium-4-yl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanone;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[5,4-c]pyridine;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid?

The InChIKey is RGOFZMOQIIPSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2.C13H10FN3.C12H8F2NO2.C12H9F2NO.C12H7F2NO.C12H8FN3/c21-17(22)14-8-7-13-16(18-14)15(20-19-13)12-6-5-10-3-1-2-4-11(10)9-12;1-17-12-8-15-6-5-11(12)13(16-17)9-3-2-4-10(14)7-9;13-9-3-1-2-8(6-9)12(16)10-4-5-15(17)7-11(10)14;2*13-9-3-1-2-8(6-9)12(16)10-4-5-15-7-11(10)14;13-9-3-1-2-8(6-9)12-10-4-5-14-7-11(10)15-16-12/h1-9H,(H,19,20)(H,21,22);2-8H,1H3;1-7,17H;1-7,12,16H;1-7H;1-7H,(H,15,16)/q;;+1;;;.

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

(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanone;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[5,4-c]pyridine;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid has a molecular weight of 1406.34 g/mol, XLogP of 15.77, 10 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (3-fluoro-1-hydroxypyridin-1-ium-4-yl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanone;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[5,4-c]pyridine;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 158298462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).