6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanone;[3-(trifluoromethyl)phenyl]methanol;3-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine

C97H70Cl3F12N15O8 — CID 158191758

About 6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanone;[3-(trifluoromethyl)phenyl]methanol;3-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine

6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanone;[3-(trifluoromethyl)phenyl]methanol;3-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158191758) has the molecular formula C97H70Cl3F12N15O8 and a molecular weight of 1908.06 g/mol. Its IUPAC name is 6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanone;[3-(trifluoromethyl)phenyl]methanol;3-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanone;[3-(trifluoromethyl)phenyl]methanol;3-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 158191758
• Molecular Formula: C97H70Cl3F12N15O8
• Molecular Weight: 1908.06 g/mol
• Exact Mass: 1905.44
• IUPAC Name: 6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanone;[3-(trifluoromethyl)phenyl]methanol;3-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
• SMILES: FC(F)(F)c1cccc(COc2ccc(Cc3c[nH]c4ncccc34)cn2)c1.O=C(Cl)c1ccc(Cl)nc1.O=C(c1ccc(Cl)nc1)c1c[nH]c2ncccc12.O=C(c1ccc(OCc2cccc(C(F)(F)F)c2)nc1)c1c[nH]c2ncccc12.OC(c1ccc(OCc2cccc(C(F)(F)F)c2)nc1)c1c[nH]c2ncccc12.OCc1cccc(C(F)(F)F)c1.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C21H16F3N3O2.C21H14F3N3O2.C21H16F3N3O.C13H8ClN3O.C8H7F3O.C7H6N2.C6H3Cl2NO/c2*22-21(23,24)15-4-1-3-13(9-15)12-29-18-7-6-14(10-26-18)19(28)17-11-27-20-16(17)5-2-8-25-20;22-21(23,24)17-4-1-3-15(10-17)13-28-19-7-6-14(11-26-19)9-16-12-27-20-18(16)5-2-8-25-20;14-11-4-3-8(6-16-11)12(18)10-7-17-13-9(10)2-1-5-15-13;9-8(10,11)7-3-1-2-6(4-7)5-12;1-2-6-3-5-9-7(6)8-4-1;7-5-2-1-4(3-9-5)6(8)10/h1-11,19,28H,12H2,(H,25,27);1-11H,12H2,(H,25,27);1-8,10-12H,9,13H2,(H,25,27);1-7H,(H,15,17);1-4,12H,5H2;1-5H,(H,8,9);1-3H
• InChIKey: FZVOUEDTXWOCNR-UHFFFAOYSA-N
• XLogP: 23.29
• TPSA: 327.21 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1908.06
LogP ≤ 5	23.29
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanone;[3-(trifluoromethyl)phenyl]methanol;3-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanone;[3-(trifluoromethyl)phenyl]methanol;3-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 158191758) is 6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanone;[3-(trifluoromethyl)phenyl]methanol;3-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanone;[3-(trifluoromethyl)phenyl]methanol;3-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanone;[3-(trifluoromethyl)phenyl]methanol;3-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine is FC(F)(F)c1cccc(COc2ccc(Cc3c[nH]c4ncccc34)cn2)c1.O=C(Cl)c1ccc(Cl)nc1.O=C(c1ccc(Cl)nc1)c1c[nH]c2ncccc12.O=C(c1ccc(OCc2cccc(C(F)(F)F)c2)nc1)c1c[nH]c2ncccc12.OC(c1ccc(OCc2cccc(C(F)(F)F)c2)nc1)c1c[nH]c2ncccc12.OCc1cccc(C(F)(F)F)c1.c1cnc2[nH]ccc2c1.

What is the InChIKey of 6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanone;[3-(trifluoromethyl)phenyl]methanol;3-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is FZVOUEDTXWOCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2.C21H14F3N3O2.C21H16F3N3O.C13H8ClN3O.C8H7F3O.C7H6N2.C6H3Cl2NO/c2*22-21(23,24)15-4-1-3-13(9-15)12-29-18-7-6-14(10-26-18)19(28)17-11-27-20-16(17)5-2-8-25-20;22-21(23,24)17-4-1-3-15(10-17)13-28-19-7-6-14(11-26-19)9-16-12-27-20-18(16)5-2-8-25-20;14-11-4-3-8(6-16-11)12(18)10-7-17-13-9(10)2-1-5-15-13;9-8(10,11)7-3-1-2-6(4-7)5-12;1-2-6-3-5-9-7(6)8-4-1;7-5-2-1-4(3-9-5)6(8)10/h1-11,19,28H,12H2,(H,25,27);1-11H,12H2,(H,25,27);1-8,10-12H,9,13H2,(H,25,27);1-7H,(H,15,17);1-4,12H,5H2;1-5H,(H,8,9);1-3H.

What are the key properties of 6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanone;[3-(trifluoromethyl)phenyl]methanol;3-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanone;[3-(trifluoromethyl)phenyl]methanol;3-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1908.06 g/mol, XLogP of 23.29, 19 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methanone;[3-(trifluoromethyl)phenyl]methanol;3-[[6-[[3-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158191758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).