2-chloro-4-fluorophenol;2-chloro-6-fluoro-3-phenylmethoxybenzaldehyde;2-chloro-4-fluoro-1-phenylmethoxybenzene;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;1H-pyrrolo[2,3-b]pyridine

C104H80Cl6F6N8O9 — CID 157191976

About 2-chloro-4-fluorophenol;2-chloro-6-fluoro-3-phenylmethoxybenzaldehyde;2-chloro-4-fluoro-1-phenylmethoxybenzene;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;1H-pyrrolo[2,3-b]pyridine

2-chloro-4-fluorophenol;2-chloro-6-fluoro-3-phenylmethoxybenzaldehyde;2-chloro-4-fluoro-1-phenylmethoxybenzene;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;1H-pyrrolo[2,3-b]pyridine (PubChem CID 157191976) has the molecular formula C104H80Cl6F6N8O9 and a molecular weight of 1912.54 g/mol. Its IUPAC name is 2-chloro-4-fluorophenol;2-chloro-6-fluoro-3-phenylmethoxybenzaldehyde;2-chloro-4-fluoro-1-phenylmethoxybenzene;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2-chloro-4-fluorophenol;2-chloro-6-fluoro-3-phenylmethoxybenzaldehyde;2-chloro-4-fluoro-1-phenylmethoxybenzene;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 157191976
• Molecular Formula: C104H80Cl6F6N8O9
• Molecular Weight: 1912.54 g/mol
• Exact Mass: 1908.41
• IUPAC Name: 2-chloro-4-fluorophenol;2-chloro-6-fluoro-3-phenylmethoxybenzaldehyde;2-chloro-4-fluoro-1-phenylmethoxybenzene;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;1H-pyrrolo[2,3-b]pyridine
• SMILES: COC(c1c(F)ccc(OCc2ccccc2)c1Cl)c1c[nH]c2ncccc12.Fc1ccc(OCc2ccccc2)c(Cl)c1.Fc1ccc(OCc2ccccc2)c(Cl)c1Cc1c[nH]c2ncccc12.O=Cc1c(F)ccc(OCc2ccccc2)c1Cl.OC(c1c(F)ccc(OCc2ccccc2)c1Cl)c1c[nH]c2ncccc12.Oc1ccc(F)cc1Cl.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C22H18ClFN2O2.C21H16ClFN2O2.C21H16ClFN2O.C14H10ClFO2.C13H10ClFO.C7H6N2.C6H4ClFO/c1-27-21(16-12-26-22-15(16)8-5-11-25-22)19-17(24)9-10-18(20(19)23)28-13-14-6-3-2-4-7-14;22-19-17(27-12-13-5-2-1-3-6-13)9-8-16(23)18(19)20(26)15-11-25-21-14(15)7-4-10-24-21;22-20-17(11-15-12-25-21-16(15)7-4-10-24-21)18(23)8-9-19(20)26-13-14-5-2-1-3-6-14;15-14-11(8-17)12(16)6-7-13(14)18-9-10-4-2-1-3-5-10;14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10;1-2-6-3-5-9-7(6)8-4-1;7-5-3-4(8)1-2-6(5)9/h2-12,21H,13H2,1H3,(H,25,26);1-11,20,26H,12H2,(H,24,25);1-10,12H,11,13H2,(H,24,25);1-8H,9H2;1-8H,9H2;1-5H,(H,8,9);1-3,9H
• InChIKey: APUNTTFMSUVMKC-UHFFFAOYSA-N
• XLogP: 27.89
• TPSA: 227.63 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 23
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1912.54
LogP ≤ 5	27.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluorophenol;2-chloro-6-fluoro-3-phenylmethoxybenzaldehyde;2-chloro-4-fluoro-1-phenylmethoxybenzene;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 2-chloro-4-fluorophenol;2-chloro-6-fluoro-3-phenylmethoxybenzaldehyde;2-chloro-4-fluoro-1-phenylmethoxybenzene;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;1H-pyrrolo[2,3-b]pyridine (CID 157191976) is 2-chloro-4-fluorophenol;2-chloro-6-fluoro-3-phenylmethoxybenzaldehyde;2-chloro-4-fluoro-1-phenylmethoxybenzene;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 2-chloro-4-fluorophenol;2-chloro-6-fluoro-3-phenylmethoxybenzaldehyde;2-chloro-4-fluoro-1-phenylmethoxybenzene;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 2-chloro-4-fluorophenol;2-chloro-6-fluoro-3-phenylmethoxybenzaldehyde;2-chloro-4-fluoro-1-phenylmethoxybenzene;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;1H-pyrrolo[2,3-b]pyridine is COC(c1c(F)ccc(OCc2ccccc2)c1Cl)c1c[nH]c2ncccc12.Fc1ccc(OCc2ccccc2)c(Cl)c1.Fc1ccc(OCc2ccccc2)c(Cl)c1Cc1c[nH]c2ncccc12.O=Cc1c(F)ccc(OCc2ccccc2)c1Cl.OC(c1c(F)ccc(OCc2ccccc2)c1Cl)c1c[nH]c2ncccc12.Oc1ccc(F)cc1Cl.c1cnc2[nH]ccc2c1.

What is the InChIKey of 2-chloro-4-fluorophenol;2-chloro-6-fluoro-3-phenylmethoxybenzaldehyde;2-chloro-4-fluoro-1-phenylmethoxybenzene;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;1H-pyrrolo[2,3-b]pyridine?

The InChIKey is APUNTTFMSUVMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O2.C21H16ClFN2O2.C21H16ClFN2O.C14H10ClFO2.C13H10ClFO.C7H6N2.C6H4ClFO/c1-27-21(16-12-26-22-15(16)8-5-11-25-22)19-17(24)9-10-18(20(19)23)28-13-14-6-3-2-4-7-14;22-19-17(27-12-13-5-2-1-3-6-13)9-8-16(23)18(19)20(26)15-11-25-21-14(15)7-4-10-24-21;22-20-17(11-15-12-25-21-16(15)7-4-10-24-21)18(23)8-9-19(20)26-13-14-5-2-1-3-6-14;15-14-11(8-17)12(16)6-7-13(14)18-9-10-4-2-1-3-5-10;14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10;1-2-6-3-5-9-7(6)8-4-1;7-5-3-4(8)1-2-6(5)9/h2-12,21H,13H2,1H3,(H,25,26);1-11,20,26H,12H2,(H,24,25);1-10,12H,11,13H2,(H,24,25);1-8H,9H2;1-8H,9H2;1-5H,(H,8,9);1-3,9H.

What are the key properties of 2-chloro-4-fluorophenol;2-chloro-6-fluoro-3-phenylmethoxybenzaldehyde;2-chloro-4-fluoro-1-phenylmethoxybenzene;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;1H-pyrrolo[2,3-b]pyridine?

2-chloro-4-fluorophenol;2-chloro-6-fluoro-3-phenylmethoxybenzaldehyde;2-chloro-4-fluoro-1-phenylmethoxybenzene;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1912.54 g/mol, XLogP of 27.89, 23 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-fluorophenol;2-chloro-6-fluoro-3-phenylmethoxybenzaldehyde;2-chloro-4-fluoro-1-phenylmethoxybenzene;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(2-chloro-6-fluoro-3-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2-chloro-6-fluoro-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157191976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).