(5,6-dichloro-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

C16H23Cl2FN2Si — CID 156715411

IUPAC(5,6-dichloro-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(Cl)c(Cl)nc21
InChIInChI=1S/C16H23Cl2FN2Si/c1-9(2)22(10(3)4,11(5)6)21-8-7-12-14(19)13(17)15(18)20-16(12)21/h7-11H,1-6H3
InChIKeyFPHRROXJGYXBHM-UHFFFAOYSA-N
MW361.36 g/mol
LogP6.51
Rot. Bonds4

About (5,6-dichloro-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

(5,6-dichloro-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (PubChem CID 156715411) has the molecular formula C16H23Cl2FN2Si and a molecular weight of 361.36 g/mol. Its IUPAC name is (5,6-dichloro-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(5,6-dichloro-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
PubChem CID156715411
Molecular FormulaC16H23Cl2FN2Si
Molecular Weight361.36 g/mol
Exact Mass360.10
IUPAC Name(5,6-dichloro-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(Cl)c(Cl)nc21
InChIInChI=1S/C16H23Cl2FN2Si/c1-9(2)22(10(3)4,11(5)6)21-8-7-12-14(19)13(17)15(18)20-16(12)21/h7-11H,1-6H3
InChIKeyFPHRROXJGYXBHM-UHFFFAOYSA-N
XLogP6.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.36
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-azido-4,6-dichloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
CID 100913363
(4-chloro-5-methylsulfonylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
CID 71258463
(2-chloropyrrolo[2,3-b]pyrazin-5-yl)-tri(propan-2-yl)silane
CID 58010187
[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methanol
CID 141393855
[5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
CID 140960176
(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane
CID 174723227
(E)-1-[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]ethylidenehydrazine
CID 58557699
tri(propan-2-yl)-[5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane
CID 46318196
2,3-dichloro-4-fluoro-8-methylquinoline
CID 175326105
[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane
CID 146012630
[5-fluoro-1-tri(propan-2-yl)silylpyrrolo[2,3-c]pyridin-4-yl]boronic acid
CID 138107987
N-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-di(propan-2-yl)silyl]-N-methylmethanamine
CID 59420175

Frequently Asked Questions

What is the IUPAC name of (5,6-dichloro-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
The IUPAC name of (5,6-dichloro-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (CID 156715411) is (5,6-dichloro-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.
What is the SMILES notation for (5,6-dichloro-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
The canonical SMILES for (5,6-dichloro-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(Cl)c(Cl)nc21.
What is the InChIKey of (5,6-dichloro-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
The InChIKey is FPHRROXJGYXBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2FN2Si/c1-9(2)22(10(3)4,11(5)6)21-8-7-12-14(19)13(17)15(18)20-16(12)21/h7-11H,1-6H3.
What are the key properties of (5,6-dichloro-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
(5,6-dichloro-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane has a molecular weight of 361.36 g/mol, XLogP of 6.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dichloro-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 156715411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).