2,4-difluorophenol;2,6-difluoro-3-phenylmethoxybenzaldehyde;2,4-difluoro-1-phenylmethoxybenzene;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine

C97H69F10N9O8 — CID 158654358

About 2,4-difluorophenol;2,6-difluoro-3-phenylmethoxybenzaldehyde;2,4-difluoro-1-phenylmethoxybenzene;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine

2,4-difluorophenol;2,6-difluoro-3-phenylmethoxybenzaldehyde;2,4-difluoro-1-phenylmethoxybenzene;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158654358) has the molecular formula C97H69F10N9O8 and a molecular weight of 1678.65 g/mol. Its IUPAC name is 2,4-difluorophenol;2,6-difluoro-3-phenylmethoxybenzaldehyde;2,4-difluoro-1-phenylmethoxybenzene;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2,4-difluorophenol;2,6-difluoro-3-phenylmethoxybenzaldehyde;2,4-difluoro-1-phenylmethoxybenzene;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 158654358
• Molecular Formula: C97H69F10N9O8
• Molecular Weight: 1678.65 g/mol
• Exact Mass: 1677.51
• IUPAC Name: 2,4-difluorophenol;2,6-difluoro-3-phenylmethoxybenzaldehyde;2,4-difluoro-1-phenylmethoxybenzene;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
• SMILES: Fc1ccc(OCc2ccccc2)c(F)c1.O=C(c1c(F)ccc(OCc2ccccc2)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12.O=Cc1c(F)ccc(OCc2ccccc2)c1F.OC(c1c(F)ccc(OCc2ccccc2)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12.Oc1ccc(F)cc1F.c1cncc(-c2cnc3[nH]ccc3c2)c1
• InChI: InChI=1S/C26H19F2N3O2.C26H17F2N3O2.C14H10F2O2.C13H10F2O.C12H9N3.C6H4F2O/c2*27-21-8-9-22(33-15-16-5-2-1-3-6-16)24(28)23(21)25(32)20-14-31-26-19(20)11-18(13-30-26)17-7-4-10-29-12-17;15-12-6-7-13(14(16)11(12)8-17)18-9-10-4-2-1-3-5-10;14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10;1-2-10(7-13-4-1)11-6-9-3-5-14-12(9)15-8-11;7-4-1-2-6(9)5(8)3-4/h1-14,25,32H,15H2,(H,30,31);1-14H,15H2,(H,30,31);1-8H,9H2;1-8H,9H2;1-8H,(H,14,15);1-3,9H
• InChIKey: IBYFYYVXSBCEDE-UHFFFAOYSA-N
• XLogP: 22.47
• TPSA: 236.23 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1678.65
LogP ≤ 5	22.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-difluorophenol;2,6-difluoro-3-phenylmethoxybenzaldehyde;2,4-difluoro-1-phenylmethoxybenzene;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 2,4-difluorophenol;2,6-difluoro-3-phenylmethoxybenzaldehyde;2,4-difluoro-1-phenylmethoxybenzene;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine (CID 158654358) is 2,4-difluorophenol;2,6-difluoro-3-phenylmethoxybenzaldehyde;2,4-difluoro-1-phenylmethoxybenzene;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 2,4-difluorophenol;2,6-difluoro-3-phenylmethoxybenzaldehyde;2,4-difluoro-1-phenylmethoxybenzene;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 2,4-difluorophenol;2,6-difluoro-3-phenylmethoxybenzaldehyde;2,4-difluoro-1-phenylmethoxybenzene;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine is Fc1ccc(OCc2ccccc2)c(F)c1.O=C(c1c(F)ccc(OCc2ccccc2)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12.O=Cc1c(F)ccc(OCc2ccccc2)c1F.OC(c1c(F)ccc(OCc2ccccc2)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12.Oc1ccc(F)cc1F.c1cncc(-c2cnc3[nH]ccc3c2)c1.

What is the InChIKey of 2,4-difluorophenol;2,6-difluoro-3-phenylmethoxybenzaldehyde;2,4-difluoro-1-phenylmethoxybenzene;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is IBYFYYVXSBCEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N3O2.C26H17F2N3O2.C14H10F2O2.C13H10F2O.C12H9N3.C6H4F2O/c2*27-21-8-9-22(33-15-16-5-2-1-3-6-16)24(28)23(21)25(32)20-14-31-26-19(20)11-18(13-30-26)17-7-4-10-29-12-17;15-12-6-7-13(14(16)11(12)8-17)18-9-10-4-2-1-3-5-10;14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10;1-2-10(7-13-4-1)11-6-9-3-5-14-12(9)15-8-11;7-4-1-2-6(9)5(8)3-4/h1-14,25,32H,15H2,(H,30,31);1-14H,15H2,(H,30,31);1-8H,9H2;1-8H,9H2;1-8H,(H,14,15);1-3,9H.

What are the key properties of 2,4-difluorophenol;2,6-difluoro-3-phenylmethoxybenzaldehyde;2,4-difluoro-1-phenylmethoxybenzene;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?

2,4-difluorophenol;2,6-difluoro-3-phenylmethoxybenzaldehyde;2,4-difluoro-1-phenylmethoxybenzene;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1678.65 g/mol, XLogP of 22.47, 20 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-difluorophenol;2,6-difluoro-3-phenylmethoxybenzaldehyde;2,4-difluoro-1-phenylmethoxybenzene;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158654358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).