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

C103H65F12N16O8+ — CID 159757702

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

(3-fluoro-1-hydroxypyridin-1-ium-2-yl)-(3-fluorophenyl)methanone;(3-fluoro-6-isocyano-2-pyridinyl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone;3-(3-fluorophenyl)-5-isocyano-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol (PubChem CID 159757702) has the molecular formula C103H65F12N16O8+ and a molecular weight of 1882.73 g/mol. Its IUPAC name is (3-fluoro-1-hydroxypyridin-1-ium-2-yl)-(3-fluorophenyl)methanone;(3-fluoro-6-isocyano-2-pyridinyl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone;3-(3-fluorophenyl)-5-isocyano-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol.

Molecular Properties

• Compound Name: (3-fluoro-1-hydroxypyridin-1-ium-2-yl)-(3-fluorophenyl)methanone;(3-fluoro-6-isocyano-2-pyridinyl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone;3-(3-fluorophenyl)-5-isocyano-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol
• PubChem CID: 159757702
• Molecular Formula: C103H65F12N16O8+
• Molecular Weight: 1882.73 g/mol
• Exact Mass: 1881.50
• IUPAC Name: (3-fluoro-1-hydroxypyridin-1-ium-2-yl)-(3-fluorophenyl)methanone;(3-fluoro-6-isocyano-2-pyridinyl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone;3-(3-fluorophenyl)-5-isocyano-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol
• SMILES: Fc1cccc(-c2n[nH]c3cccnc23)c1.O=C(O)c1ccc2[nH]nc(-c3cccc(F)c3)c2n1.O=C(c1cccc(F)c1)c1c(F)ccc[n+]1O.O=C(c1cccc(F)c1)c1ncccc1F.OC(c1ccc2ccccc2c1)c1ncccc1F.OC(c1cccc(F)c1)c1ncccc1F.[C-]#[N+]c1ccc(F)c(C(=O)c2cccc(F)c2)n1.[C-]#[N+]c1ccc2[nH]nc(-c3cccc(F)c3)c2n1
• InChI: InChI=1S/C16H12FNO.C13H6F2N2O.C13H7FN4.C13H8FN3O2.C12H8F2NO2.C12H9F2NO.C12H7F2NO.C12H8FN3/c17-14-6-3-9-18-15(14)16(19)13-8-7-11-4-1-2-5-12(11)10-13;1-16-11-6-5-10(15)12(17-11)13(18)8-3-2-4-9(14)7-8;1-15-11-6-5-10-13(16-11)12(18-17-10)8-3-2-4-9(14)7-8;14-8-3-1-2-7(6-8)11-12-9(16-17-11)4-5-10(15-12)13(18)19;13-9-4-1-3-8(7-9)12(16)11-10(14)5-2-6-15(11)17;2*13-9-4-1-3-8(7-9)12(16)11-10(14)5-2-6-15-11;13-9-4-1-3-8(7-9)11-12-10(15-16-11)5-2-6-14-12/h1-10,16,19H;2-7H;2-7H,(H,17,18);1-6H,(H,16,17)(H,18,19);1-7,17H;1-7,12,16H;1-7H;1-7H,(H,15,16)/q;;;;+1
• InChIKey: UNKKHJJMNLZXLY-UHFFFAOYSA-N
• XLogP: 21.89
• TPSA: 338.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1882.73
LogP ≤ 5	21.89
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

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)-(3-fluorophenyl)methanone;(3-fluoro-6-isocyano-2-pyridinyl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone;3-(3-fluorophenyl)-5-isocyano-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol?

The IUPAC name of (3-fluoro-1-hydroxypyridin-1-ium-2-yl)-(3-fluorophenyl)methanone;(3-fluoro-6-isocyano-2-pyridinyl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone;3-(3-fluorophenyl)-5-isocyano-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol (CID 159757702) is (3-fluoro-1-hydroxypyridin-1-ium-2-yl)-(3-fluorophenyl)methanone;(3-fluoro-6-isocyano-2-pyridinyl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone;3-(3-fluorophenyl)-5-isocyano-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol.

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

The canonical SMILES for (3-fluoro-1-hydroxypyridin-1-ium-2-yl)-(3-fluorophenyl)methanone;(3-fluoro-6-isocyano-2-pyridinyl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone;3-(3-fluorophenyl)-5-isocyano-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol is Fc1cccc(-c2n[nH]c3cccnc23)c1.O=C(O)c1ccc2[nH]nc(-c3cccc(F)c3)c2n1.O=C(c1cccc(F)c1)c1c(F)ccc[n+]1O.O=C(c1cccc(F)c1)c1ncccc1F.OC(c1ccc2ccccc2c1)c1ncccc1F.OC(c1cccc(F)c1)c1ncccc1F.[C-]#[N+]c1ccc(F)c(C(=O)c2cccc(F)c2)n1.[C-]#[N+]c1ccc2[nH]nc(-c3cccc(F)c3)c2n1.

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

The InChIKey is UNKKHJJMNLZXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO.C13H6F2N2O.C13H7FN4.C13H8FN3O2.C12H8F2NO2.C12H9F2NO.C12H7F2NO.C12H8FN3/c17-14-6-3-9-18-15(14)16(19)13-8-7-11-4-1-2-5-12(11)10-13;1-16-11-6-5-10(15)12(17-11)13(18)8-3-2-4-9(14)7-8;1-15-11-6-5-10-13(16-11)12(18-17-10)8-3-2-4-9(14)7-8;14-8-3-1-2-7(6-8)11-12-9(16-17-11)4-5-10(15-12)13(18)19;13-9-4-1-3-8(7-9)12(16)11-10(14)5-2-6-15(11)17;2*13-9-4-1-3-8(7-9)12(16)11-10(14)5-2-6-15-11;13-9-4-1-3-8(7-9)11-12-10(15-16-11)5-2-6-14-12/h1-10,16,19H;2-7H;2-7H,(H,17,18);1-6H,(H,16,17)(H,18,19);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-2-yl)-(3-fluorophenyl)methanone;(3-fluoro-6-isocyano-2-pyridinyl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone;3-(3-fluorophenyl)-5-isocyano-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol?

(3-fluoro-1-hydroxypyridin-1-ium-2-yl)-(3-fluorophenyl)methanone;(3-fluoro-6-isocyano-2-pyridinyl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone;3-(3-fluorophenyl)-5-isocyano-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol has a molecular weight of 1882.73 g/mol, XLogP of 21.89, 14 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (3-fluoro-1-hydroxypyridin-1-ium-2-yl)-(3-fluorophenyl)methanone;(3-fluoro-6-isocyano-2-pyridinyl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone;3-(3-fluorophenyl)-5-isocyano-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol is sourced from PubChem (CID 159757702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).