4-[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile

C19H21ClN4OSi — CID 169097833

IUPAC4-[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile
SMILESC[Si](C)(C)CCOCn1c(-c2ccnc(C#N)c2)cc2cnc(Cl)cc21
InChIInChI=1S/C19H21ClN4OSi/c1-26(2,3)7-6-25-13-24-17(14-4-5-22-16(8-14)11-21)9-15-12-23-19(20)10-18(15)24/h4-5,8-10,12H,6-7,13H2,1-3H3
InChIKeyJLHRHAUVQSGCMK-UHFFFAOYSA-N
MW384.94 g/mol
LogP4.94
Rot. Bonds6

About 4-[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile

4-[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile (PubChem CID 169097833) has the molecular formula C19H21ClN4OSi and a molecular weight of 384.94 g/mol. Its IUPAC name is 4-[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile
PubChem CID169097833
Molecular FormulaC19H21ClN4OSi
Molecular Weight384.94 g/mol
Exact Mass384.12
IUPAC Name4-[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile
SMILESC[Si](C)(C)CCOCn1c(-c2ccnc(C#N)c2)cc2cnc(Cl)cc21
InChIInChI=1S/C19H21ClN4OSi/c1-26(2,3)7-6-25-13-24-17(14-4-5-22-16(8-14)11-21)9-15-12-23-19(20)10-18(15)24/h4-5,8-10,12H,6-7,13H2,1-3H3
InChIKeyJLHRHAUVQSGCMK-UHFFFAOYSA-N
XLogP4.94
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.94
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[6-chloro-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethyl-λ4-sulfane
CID 164564728
2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 157374933
13-chloro-8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile
CID 58266668
4-[2-(4-cyanophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzonitrile
CID 46895438
13-piperidin-1-yl-8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile
CID 58365210
2-[(2-chloro-6-methylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane
CID 164881290
2-[(4-chloro-2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 58368344
2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 167374733
13-[(3S)-3-hydroxypyrrolidin-1-yl]-8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile
CID 58365043
2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 21081676
2-[[4-(4-methoxyphenyl)-10-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane
CID 67362055
tert-butyl (1S,5R)-3-[[2-cyano-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 172599123

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile (CID 169097833) is 4-[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile is C[Si](C)(C)CCOCn1c(-c2ccnc(C#N)c2)cc2cnc(Cl)cc21.
What is the InChIKey of 4-[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile?
The InChIKey is JLHRHAUVQSGCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4OSi/c1-26(2,3)7-6-25-13-24-17(14-4-5-22-16(8-14)11-21)9-15-12-23-19(20)10-18(15)24/h4-5,8-10,12H,6-7,13H2,1-3H3.
What are the key properties of 4-[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile?
4-[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile has a molecular weight of 384.94 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 169097833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).