4-bromopyridin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine

C36H48BBrCl2N8O4Si2 — CID 159158544

IUPAC4-bromopyridin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine
SMILESC[Si](C)(C)CCOCn1c(-c2ccnc(N)c2)cc2c(Cl)ccnc21.C[Si](C)(C)CCOCn1c(B(O)O)cc2c(Cl)ccnc21.Nc1cc(Br)ccn1
InChIInChI=1S/C18H23ClN4OSi.C13H20BClN2O3Si.C5H5BrN2/c1-25(2,3)9-8-24-12-23-16(13-4-6-21-17(20)10-13)11-14-15(19)5-7-22-18(14)23;1-21(2,3)7-6-20-9-17-12(14(18)19)8-10-11(15)4-5-16-13(10)17;6-4-1-2-8-5(7)3-4/h4-7,10-11H,8-9,12H2,1-3H3,(H2,20,21);4-5,8,18-19H,6-7,9H2,1-3H3;1-3H,(H2,7,8)
InChIKeyKKEWTDPMPKLWSO-UHFFFAOYSA-N
MW874.63 g/mol
LogP7.75
Rot. Bonds12

About 4-bromopyridin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine

4-bromopyridin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 159158544) has the molecular formula C36H48BBrCl2N8O4Si2 and a molecular weight of 874.63 g/mol. Its IUPAC name is 4-bromopyridin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-bromopyridin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine
PubChem CID159158544
Molecular FormulaC36H48BBrCl2N8O4Si2
Molecular Weight874.63 g/mol
Exact Mass872.20
IUPAC Name4-bromopyridin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine
SMILESC[Si](C)(C)CCOCn1c(-c2ccnc(N)c2)cc2c(Cl)ccnc21.C[Si](C)(C)CCOCn1c(B(O)O)cc2c(Cl)ccnc21.Nc1cc(Br)ccn1
InChIInChI=1S/C18H23ClN4OSi.C13H20BClN2O3Si.C5H5BrN2/c1-25(2,3)9-8-24-12-23-16(13-4-6-21-17(20)10-13)11-14-15(19)5-7-22-18(14)23;1-21(2,3)7-6-20-9-17-12(14(18)19)8-10-11(15)4-5-16-13(10)17;6-4-1-2-8-5(7)3-4/h4-7,10-11H,8-9,12H2,1-3H3,(H2,20,21);4-5,8,18-19H,6-7,9H2,1-3H3;1-3H,(H2,7,8)
InChIKeyKKEWTDPMPKLWSO-UHFFFAOYSA-N
XLogP7.75
TPSA172.38 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500874.63
LogP ≤ 57.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-bromopyridin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine with MolForge

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Related Compounds

2-[(4-chloro-2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 58368344
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CID 21081676
2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 162760836
2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[2-(3H-isoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine
CID 123455597
2-[[4-(4-bromopyrazol-1-yl)-5-chloro-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 67002903
3-[4-(1H-indol-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide
CID 67330613
7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one
CID 21135820
2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 174596817
2-[[2-(4-bromo-2-pyridinyl)-4,5-dimethylimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140796375
4-[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile
CID 169097833
ethyl 2-methyl-3-[2-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxybenzoate
CID 171635989
[4-[4-[(4-propan-2-ylphenyl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol
CID 171513229

Frequently Asked Questions

What is the IUPAC name of 4-bromopyridin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 4-bromopyridin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine (CID 159158544) is 4-bromopyridin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 4-bromopyridin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 4-bromopyridin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine is C[Si](C)(C)CCOCn1c(-c2ccnc(N)c2)cc2c(Cl)ccnc21.C[Si](C)(C)CCOCn1c(B(O)O)cc2c(Cl)ccnc21.Nc1cc(Br)ccn1.
What is the InChIKey of 4-bromopyridin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is KKEWTDPMPKLWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4OSi.C13H20BClN2O3Si.C5H5BrN2/c1-25(2,3)9-8-24-12-23-16(13-4-6-21-17(20)10-13)11-14-15(19)5-7-22-18(14)23;1-21(2,3)7-6-20-9-17-12(14(18)19)8-10-11(15)4-5-16-13(10)17;6-4-1-2-8-5(7)3-4/h4-7,10-11H,8-9,12H2,1-3H3,(H2,20,21);4-5,8,18-19H,6-7,9H2,1-3H3;1-3H,(H2,7,8).
What are the key properties of 4-bromopyridin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine?
4-bromopyridin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 874.63 g/mol, XLogP of 7.75, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromopyridin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 159158544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).