(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

C74H45F10N12O5+ — CID 161224205

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-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 (PubChem CID 161224205) has the molecular formula C74H45F10N12O5+ and a molecular weight of 1372.23 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.

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
• PubChem CID: 161224205
• Molecular Formula: C74H45F10N12O5+
• Molecular Weight: 1372.23 g/mol
• Exact Mass: 1371.35
• 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
• SMILES: Fc1cccc(-c2n[nH]c3cccnc23)c1.O=C(c1cccc(F)c1)c1c(F)ccc[n+]1O.O=C(c1cccc(F)c1)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/C13H6F2N2O.C13H7FN4.C12H8F2NO2.C12H9F2NO.C12H7F2NO.C12H8FN3/c1-16-11-6-5-10(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;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/h2-7H;2-7H,(H,17,18);1-7,17H;1-7,12,16H;1-7H;1-7H,(H,15,16)/q;;+1
• InChIKey: KTPWWGZORNKQDC-UHFFFAOYSA-N
• XLogP: 15.97
• TPSA: 226.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1372.23
LogP ≤ 5	15.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

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?

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 (CID 161224205) 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.

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?

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 is Fc1cccc(-c2n[nH]c3cccnc23)c1.O=C(c1cccc(F)c1)c1c(F)ccc[n+]1O.O=C(c1cccc(F)c1)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?

The InChIKey is KTPWWGZORNKQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F2N2O.C13H7FN4.C12H8F2NO2.C12H9F2NO.C12H7F2NO.C12H8FN3/c1-16-11-6-5-10(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;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/h2-7H;2-7H,(H,17,18);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-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 has a molecular weight of 1372.23 g/mol, XLogP of 15.97, 10 rotatable bonds, 4 hydrogen bond donors, and 12 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 is sourced from PubChem (CID 161224205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).