5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;chloro-tri(propan-2-yl)silane

C39H54Cl4I2N6Si2 — CID 158209745

IUPAC5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;chloro-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cc(Cl)cnc21.CC(C)[Si](Cl)(C(C)C)C(C)C.Clc1cnc2[nH]cc(I)c2c1.Clc1cnc2[nH]ccc2c1
InChIInChI=1S/C16H24ClIN2Si.C9H21ClSi.C7H4ClIN2.C7H5ClN2/c1-10(2)21(11(3)4,12(5)6)20-9-15(18)14-7-13(17)8-19-16(14)20;1-7(2)11(10,8(3)4)9(5)6;8-4-1-5-6(9)3-11-7(5)10-2-4;8-6-3-5-1-2-9-7(5)10-4-6/h7-12H,1-6H3;7-9H,1-6H3;1-3H,(H,10,11);1-4H,(H,9,10)
InChIKeyGBXVBBYACNEIRE-UHFFFAOYSA-N
MW1058.69 g/mol
LogP15.76
Rot. Bonds7

About 5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;chloro-tri(propan-2-yl)silane

5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;chloro-tri(propan-2-yl)silane (PubChem CID 158209745) has the molecular formula C39H54Cl4I2N6Si2 and a molecular weight of 1058.69 g/mol. Its IUPAC name is 5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;chloro-tri(propan-2-yl)silane.

Molecular Properties

Compound Name5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;chloro-tri(propan-2-yl)silane
PubChem CID158209745
Molecular FormulaC39H54Cl4I2N6Si2
Molecular Weight1058.69 g/mol
Exact Mass1056.08
IUPAC Name5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;chloro-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cc(Cl)cnc21.CC(C)[Si](Cl)(C(C)C)C(C)C.Clc1cnc2[nH]cc(I)c2c1.Clc1cnc2[nH]ccc2c1
InChIInChI=1S/C16H24ClIN2Si.C9H21ClSi.C7H4ClIN2.C7H5ClN2/c1-10(2)21(11(3)4,12(5)6)20-9-15(18)14-7-13(17)8-19-16(14)20;1-7(2)11(10,8(3)4)9(5)6;8-4-1-5-6(9)3-11-7(5)10-2-4;8-6-3-5-1-2-9-7(5)10-4-6/h7-12H,1-6H3;7-9H,1-6H3;1-3H,(H,10,11);1-4H,(H,9,10)
InChIKeyGBXVBBYACNEIRE-UHFFFAOYSA-N
XLogP15.76
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001058.69
LogP ≤ 515.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;chloro-tri(propan-2-yl)silane with MolForge

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Related Compounds

N-[(6-chloro-3-pyridinyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 52934260
5-chloro-N'-[(E)-2-fluoro-3-iodo-1-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]prop-1-enyl]-1H-pyrrolo[2,3-b]pyridine-3-carboximidamide
CID 173383080
N-[(3,5-dichloro-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
CID 24955368
(3-chloro-pyridin-4-ylmethyl)[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-pyridin-2-yl]-amine
CID 25151532
N-[(3-chloro-4-pyridinyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 25151720
3-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 54346079
N-[(5-chloro-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
CID 57619386
N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine
CID 58512531
2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine
CID 67837497
N-[(6-chloro-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 71761209
6-chloro-N-(2-pyridin-3-ylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
CID 87185205
N-[6-Chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-4-pyridineethanamine
CID 87191292

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;chloro-tri(propan-2-yl)silane?
The IUPAC name of 5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;chloro-tri(propan-2-yl)silane (CID 158209745) is 5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;chloro-tri(propan-2-yl)silane.
What is the SMILES notation for 5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;chloro-tri(propan-2-yl)silane?
The canonical SMILES for 5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;chloro-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cc(Cl)cnc21.CC(C)[Si](Cl)(C(C)C)C(C)C.Clc1cnc2[nH]cc(I)c2c1.Clc1cnc2[nH]ccc2c1.
What is the InChIKey of 5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;chloro-tri(propan-2-yl)silane?
The InChIKey is GBXVBBYACNEIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClIN2Si.C9H21ClSi.C7H4ClIN2.C7H5ClN2/c1-10(2)21(11(3)4,12(5)6)20-9-15(18)14-7-13(17)8-19-16(14)20;1-7(2)11(10,8(3)4)9(5)6;8-4-1-5-6(9)3-11-7(5)10-2-4;8-6-3-5-1-2-9-7(5)10-4-6/h7-12H,1-6H3;7-9H,1-6H3;1-3H,(H,10,11);1-4H,(H,9,10).
What are the key properties of 5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;chloro-tri(propan-2-yl)silane?
5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;chloro-tri(propan-2-yl)silane has a molecular weight of 1058.69 g/mol, XLogP of 15.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;chloro-tri(propan-2-yl)silane is sourced from PubChem (CID 158209745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).