tert-butyl 5-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-1-carboxylate;4-chloro-5-iodo-2-(trifluoromethyl)pyridine;2-(2,6-difluorophenyl)-5-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine

C50H39Cl2F13IN7O3 — CID 157272349

About tert-butyl 5-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-1-carboxylate;4-chloro-5-iodo-2-(trifluoromethyl)pyridine;2-(2,6-difluorophenyl)-5-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine

tert-butyl 5-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-1-carboxylate;4-chloro-5-iodo-2-(trifluoromethyl)pyridine;2-(2,6-difluorophenyl)-5-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (PubChem CID 157272349) has the molecular formula C50H39Cl2F13IN7O3 and a molecular weight of 1230.69 g/mol. Its IUPAC name is tert-butyl 5-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-1-carboxylate;4-chloro-5-iodo-2-(trifluoromethyl)pyridine;2-(2,6-difluorophenyl)-5-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.

Molecular Properties

• Compound Name: tert-butyl 5-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-1-carboxylate;4-chloro-5-iodo-2-(trifluoromethyl)pyridine;2-(2,6-difluorophenyl)-5-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
• PubChem CID: 157272349
• Molecular Formula: C50H39Cl2F13IN7O3
• Molecular Weight: 1230.69 g/mol
• Exact Mass: 1229.13
• IUPAC Name: tert-butyl 5-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-1-carboxylate;4-chloro-5-iodo-2-(trifluoromethyl)pyridine;2-(2,6-difluorophenyl)-5-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
• SMILES: CC(C)(C)OC(=O)n1c(-c2c(F)cccc2F)cc2c1CCN(c1cnc(C(F)(F)F)cc1Cl)C2.COc1cc(C(F)(F)F)ncc1N1CCc2[nH]c(-c3c(F)cccc3F)cc2C1.FC(F)(F)c1cc(Cl)c(I)cn1
• InChI: InChI=1S/C24H21ClF5N3O2.C20H16F5N3O.C6H2ClF3IN/c1-23(2,3)35-22(34)33-17-7-8-32(19-11-31-20(10-14(19)25)24(28,29)30)12-13(17)9-18(33)21-15(26)5-4-6-16(21)27;1-29-17-8-18(20(23,24)25)26-9-16(17)28-6-5-14-11(10-28)7-15(27-14)19-12(21)3-2-4-13(19)22;7-3-1-5(6(8,9)10)12-2-4(3)11/h4-6,9-11H,7-8,12H2,1-3H3;2-4,7-9,27H,5-6,10H2,1H3;1-2H
• InChIKey: AYRMYKKVHVBNHC-UHFFFAOYSA-N
• XLogP: 15.15
• TPSA: 101.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1230.69
LogP ≤ 5	15.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-1-carboxylate;4-chloro-5-iodo-2-(trifluoromethyl)pyridine;2-(2,6-difluorophenyl)-5-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?

The IUPAC name of tert-butyl 5-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-1-carboxylate;4-chloro-5-iodo-2-(trifluoromethyl)pyridine;2-(2,6-difluorophenyl)-5-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (CID 157272349) is tert-butyl 5-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-1-carboxylate;4-chloro-5-iodo-2-(trifluoromethyl)pyridine;2-(2,6-difluorophenyl)-5-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.

What is the SMILES notation for tert-butyl 5-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-1-carboxylate;4-chloro-5-iodo-2-(trifluoromethyl)pyridine;2-(2,6-difluorophenyl)-5-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?

The canonical SMILES for tert-butyl 5-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-1-carboxylate;4-chloro-5-iodo-2-(trifluoromethyl)pyridine;2-(2,6-difluorophenyl)-5-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is CC(C)(C)OC(=O)n1c(-c2c(F)cccc2F)cc2c1CCN(c1cnc(C(F)(F)F)cc1Cl)C2.COc1cc(C(F)(F)F)ncc1N1CCc2[nH]c(-c3c(F)cccc3F)cc2C1.FC(F)(F)c1cc(Cl)c(I)cn1.

What is the InChIKey of tert-butyl 5-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-1-carboxylate;4-chloro-5-iodo-2-(trifluoromethyl)pyridine;2-(2,6-difluorophenyl)-5-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?

The InChIKey is AYRMYKKVHVBNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF5N3O2.C20H16F5N3O.C6H2ClF3IN/c1-23(2,3)35-22(34)33-17-7-8-32(19-11-31-20(10-14(19)25)24(28,29)30)12-13(17)9-18(33)21-15(26)5-4-6-16(21)27;1-29-17-8-18(20(23,24)25)26-9-16(17)28-6-5-14-11(10-28)7-15(27-14)19-12(21)3-2-4-13(19)22;7-3-1-5(6(8,9)10)12-2-4(3)11/h4-6,9-11H,7-8,12H2,1-3H3;2-4,7-9,27H,5-6,10H2,1H3;1-2H.

What are the key properties of tert-butyl 5-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-1-carboxylate;4-chloro-5-iodo-2-(trifluoromethyl)pyridine;2-(2,6-difluorophenyl)-5-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?

tert-butyl 5-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-1-carboxylate;4-chloro-5-iodo-2-(trifluoromethyl)pyridine;2-(2,6-difluorophenyl)-5-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine has a molecular weight of 1230.69 g/mol, XLogP of 15.15, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 5-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-1-carboxylate;4-chloro-5-iodo-2-(trifluoromethyl)pyridine;2-(2,6-difluorophenyl)-5-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 157272349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).