tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(6-methyl-3-pyridinyl)methanol;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride

C94H83Cl6F9N20O5 — CID 157157113

About tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(6-methyl-3-pyridinyl)methanol;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride

tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(6-methyl-3-pyridinyl)methanol;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride (PubChem CID 157157113) has the molecular formula C94H83Cl6F9N20O5 and a molecular weight of 1956.53 g/mol. Its IUPAC name is tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(6-methyl-3-pyridinyl)methanol;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(6-methyl-3-pyridinyl)methanol;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride
• PubChem CID: 157157113
• Molecular Formula: C94H83Cl6F9N20O5
• Molecular Weight: 1956.53 g/mol
• Exact Mass: 1952.48
• IUPAC Name: tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(6-methyl-3-pyridinyl)methanol;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride
• SMILES: COc1ccc(C(F)(F)F)nc1.COc1ccc(NC(=O)OC(C)(C)C)nc1.Cc1ccc(C(O)c2c[nH]c3ncc(Cl)cc23)cn1.Cl.Clc1cnc2[nH]ccc2c1.FC(F)(F)c1ccc(CCc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1.FC(F)(F)c1ccc(CCc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1.Nc1ccc(Cc2c[nH]c3ncc(Cl)cc23)cn1
• InChI: InChI=1S/2C21H16ClF3N4.C14H12ClN3O.C13H11ClN4.C11H16N2O3.C7H5ClN2.C7H6F3NO.ClH/c2*22-16-8-18-15(11-28-20(18)29-12-16)7-14-2-5-17(26-10-14)4-1-13-3-6-19(27-9-13)21(23,24)25;1-8-2-3-9(5-16-8)13(19)12-7-18-14-11(12)4-10(15)6-17-14;14-10-4-11-9(6-17-13(11)18-7-10)3-8-1-2-12(15)16-5-8;1-11(2,3)16-10(14)13-9-6-5-8(15-4)7-12-9;8-6-3-5-1-2-9-7(5)10-4-6;1-12-5-2-3-6(11-4-5)7(8,9)10;/h2*2-3,5-6,8-12H,1,4,7H2,(H,28,29);2-7,13,19H,1H3,(H,17,18);1-2,4-7H,3H2,(H2,15,16)(H,17,18);5-7H,1-4H3,(H,12,13,14);1-4H,(H,9,10);2-4H,1H3;1H
• InChIKey: RVWBRFBWPYHFHX-UHFFFAOYSA-N
• XLogP: 23.77
• TPSA: 349.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1956.53
LogP ≤ 5	23.77
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(6-methyl-3-pyridinyl)methanol;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride?

The IUPAC name of tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(6-methyl-3-pyridinyl)methanol;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride (CID 157157113) is tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(6-methyl-3-pyridinyl)methanol;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride.

What is the SMILES notation for tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(6-methyl-3-pyridinyl)methanol;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride?

The canonical SMILES for tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(6-methyl-3-pyridinyl)methanol;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride is COc1ccc(C(F)(F)F)nc1.COc1ccc(NC(=O)OC(C)(C)C)nc1.Cc1ccc(C(O)c2c[nH]c3ncc(Cl)cc23)cn1.Cl.Clc1cnc2[nH]ccc2c1.FC(F)(F)c1ccc(CCc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1.FC(F)(F)c1ccc(CCc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1.Nc1ccc(Cc2c[nH]c3ncc(Cl)cc23)cn1.

What is the InChIKey of tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(6-methyl-3-pyridinyl)methanol;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride?

The InChIKey is RVWBRFBWPYHFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H16ClF3N4.C14H12ClN3O.C13H11ClN4.C11H16N2O3.C7H5ClN2.C7H6F3NO.ClH/c2*22-16-8-18-15(11-28-20(18)29-12-16)7-14-2-5-17(26-10-14)4-1-13-3-6-19(27-9-13)21(23,24)25;1-8-2-3-9(5-16-8)13(19)12-7-18-14-11(12)4-10(15)6-17-14;14-10-4-11-9(6-17-13(11)18-7-10)3-8-1-2-12(15)16-5-8;1-11(2,3)16-10(14)13-9-6-5-8(15-4)7-12-9;8-6-3-5-1-2-9-7(5)10-4-6;1-12-5-2-3-6(11-4-5)7(8,9)10;/h2*2-3,5-6,8-12H,1,4,7H2,(H,28,29);2-7,13,19H,1H3,(H,17,18);1-2,4-7H,3H2,(H2,15,16)(H,17,18);5-7H,1-4H3,(H,12,13,14);1-4H,(H,9,10);2-4H,1H3;1H.

What are the key properties of tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(6-methyl-3-pyridinyl)methanol;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride?

tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(6-methyl-3-pyridinyl)methanol;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride has a molecular weight of 1956.53 g/mol, XLogP of 23.77, 17 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(6-methyl-3-pyridinyl)methanol;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride is sourced from PubChem (CID 157157113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).