[2-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-trimethylsilane

C13H21IN2Si — CID 58651658

IUPAC[2-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-trimethylsilane
SMILESCN1CCC[C@H]1c1cnc(I)cc1[Si](C)(C)C
InChIInChI=1S/C13H21IN2Si/c1-16-7-5-6-11(16)10-9-15-13(14)8-12(10)17(2,3)4/h8-9,11H,5-7H2,1-4H3/t11-/m0/s1
InChIKeyKQVHFPBEVXNMDC-NSHDSACASA-N
MW360.32 g/mol
LogP3.00
Rot. Bonds2

About [2-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-trimethylsilane

[2-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-trimethylsilane (PubChem CID 58651658) has the molecular formula C13H21IN2Si and a molecular weight of 360.32 g/mol. Its IUPAC name is [2-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-trimethylsilane.

Molecular Properties

Compound Name[2-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-trimethylsilane
PubChem CID58651658
Molecular FormulaC13H21IN2Si
Molecular Weight360.32 g/mol
Exact Mass360.05
IUPAC Name[2-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-trimethylsilane
SMILESCN1CCC[C@H]1c1cnc(I)cc1[Si](C)(C)C
InChIInChI=1S/C13H21IN2Si/c1-16-7-5-6-11(16)10-9-15-13(14)8-12(10)17(2,3)4/h8-9,11H,5-7H2,1-4H3/t11-/m0/s1
InChIKeyKQVHFPBEVXNMDC-NSHDSACASA-N
XLogP3.00
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.00
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-iodo-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 11858854
2,3-dichloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 59522801
4-[4-methyl-5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]morpholine
CID 102543259
3-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfane
CID 162140698
4-(methylamino)-5-(1-methylpyrrolidin-2-yl)pyridine-2-carbaldehyde
CID 174753135
2-chloro-N-methyl-5-(1-methylpyrrolidin-2-yl)pyridin-4-amine;formaldehyde
CID 174930186
2-(1-methylpyrrolidin-2-yl)pyrimidine
CID 89060530
2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]imidazol-1-amine
CID 118898234
5-[(2S)-1-methylpyrrolidin-2-yl]-2-[5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridin-2-yl]furo[2,3-b]pyridine
CID 45141024
4-(1-methylpyrrolidin-2-yl)-1,3-thiazole
CID 143153913
3-chloro-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;iodomethane;methane
CID 158698333
3-[(2S)-1-methylpyrrolidin-2-yl]-4-methylsulfanylpyridine
CID 11991400

Frequently Asked Questions

What is the IUPAC name of [2-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-trimethylsilane?
The IUPAC name of [2-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-trimethylsilane (CID 58651658) is [2-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-trimethylsilane.
What is the SMILES notation for [2-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-trimethylsilane?
The canonical SMILES for [2-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-trimethylsilane is CN1CCC[C@H]1c1cnc(I)cc1[Si](C)(C)C.
What is the InChIKey of [2-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-trimethylsilane?
The InChIKey is KQVHFPBEVXNMDC-NSHDSACASA-N. The full InChI is InChI=1S/C13H21IN2Si/c1-16-7-5-6-11(16)10-9-15-13(14)8-12(10)17(2,3)4/h8-9,11H,5-7H2,1-4H3/t11-/m0/s1.
What are the key properties of [2-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-trimethylsilane?
[2-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-trimethylsilane has a molecular weight of 360.32 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-trimethylsilane is sourced from PubChem (CID 58651658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).