[3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine — IUPAC name, SMILES, InChIKey & properties

Name: [3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About [3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine

[3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine (PubChem CID 158201313) has the molecular formula C76H112ClN13Si3 and a molecular weight of 1327.53 g/mol. Its IUPAC name is [3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name	[3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine
PubChem CID	158201313
Molecular Formula	C76H112ClN13Si3
Molecular Weight	1327.53 g/mol
Exact Mass	1325.82
IUPAC Name	[3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine
SMILES	CC(C)[Si](C(C)C)(C(C)C)n1cc(CCl)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(CN(C)C)c2cccnc21.CN(C)Cc1c[nH]c2ncccc12.Cc1ccc(Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)cn1.c1cnc2[nH]ccc2c1
InChI	InChI=1S/C23H33N3Si.C19H33N3Si.C17H27ClN2Si.C10H13N3.C7H6N2/c1-16(2)27(17(3)4,18(5)6)26-15-21(22-9-8-12-24-23(22)26)13-20-11-10-19(7)25-14-20;1-14(2)23(15(3)4,16(5)6)22-13-17(12-21(7)8)18-10-9-11-20-19(18)22;1-12(2)21(13(3)4,14(5)6)20-11-15(10-18)16-8-7-9-19-17(16)20;1-13(2)7-8-6-12-10-9(8)4-3-5-11-10;1-2-6-3-5-9-7(6)8-4-1/h8-12,14-18H,13H2,1-7H3;9-11,13-16H,12H2,1-8H3;7-9,11-14H,10H2,1-6H3;3-6H,7H2,1-2H3,(H,11,12);1-5H,(H,8,9)
InChIKey	GAYVECCZLBMTSP-UHFFFAOYSA-N
XLogP	20.46
TPSA	130.19 Å²
H-Bond Donors	2
H-Bond Acceptors	11
Rotatable Bonds	19
Heavy Atoms	93
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1327.53
LogP ≤ 5	20.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of [3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine (CID 158201313) is [3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for [3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for [3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine is CC(C)[Si](C(C)C)(C(C)C)n1cc(CCl)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(CN(C)C)c2cccnc21.CN(C)Cc1c[nH]c2ncccc12.Cc1ccc(Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)cn1.c1cnc2[nH]ccc2c1.

What is the InChIKey of [3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine?

The InChIKey is GAYVECCZLBMTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3Si.C19H33N3Si.C17H27ClN2Si.C10H13N3.C7H6N2/c1-16(2)27(17(3)4,18(5)6)26-15-21(22-9-8-12-24-23(22)26)13-20-11-10-19(7)25-14-20;1-14(2)23(15(3)4,16(5)6)22-13-17(12-21(7)8)18-10-9-11-20-19(18)22;1-12(2)21(13(3)4,14(5)6)20-11-15(10-18)16-8-7-9-19-17(16)20;1-13(2)7-8-6-12-10-9(8)4-3-5-11-10;1-2-6-3-5-9-7(6)8-4-1/h8-12,14-18H,13H2,1-7H3;9-11,13-16H,12H2,1-8H3;7-9,11-14H,10H2,1-6H3;3-6H,7H2,1-2H3,(H,11,12);1-5H,(H,8,9).

What are the key properties of [3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine?

Where does this data come from?

All data for [3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158201313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).