[4-(2-chloro-5-cyclohexyl-4-pyridinyl)phenyl]-trimethylsilane

C20H26ClNSi — CID 154729696

IUPAC[4-(2-chloro-5-cyclohexyl-4-pyridinyl)phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2cc(Cl)ncc2C2CCCCC2)cc1
InChIInChI=1S/C20H26ClNSi/c1-23(2,3)17-11-9-16(10-12-17)18-13-20(21)22-14-19(18)15-7-5-4-6-8-15/h9-15H,4-8H2,1-3H3
InChIKeyQNWSCYHBWPALTR-UHFFFAOYSA-N
MW343.97 g/mol
LogP5.99
Rot. Bonds3

About [4-(2-chloro-5-cyclohexyl-4-pyridinyl)phenyl]-trimethylsilane

[4-(2-chloro-5-cyclohexyl-4-pyridinyl)phenyl]-trimethylsilane (PubChem CID 154729696) has the molecular formula C20H26ClNSi and a molecular weight of 343.97 g/mol. Its IUPAC name is [4-(2-chloro-5-cyclohexyl-4-pyridinyl)phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-(2-chloro-5-cyclohexyl-4-pyridinyl)phenyl]-trimethylsilane
PubChem CID154729696
Molecular FormulaC20H26ClNSi
Molecular Weight343.97 g/mol
Exact Mass343.15
IUPAC Name[4-(2-chloro-5-cyclohexyl-4-pyridinyl)phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2cc(Cl)ncc2C2CCCCC2)cc1
InChIInChI=1S/C20H26ClNSi/c1-23(2,3)17-11-9-16(10-12-17)18-13-20(21)22-14-19(18)15-7-5-4-6-8-15/h9-15H,4-8H2,1-3H3
InChIKeyQNWSCYHBWPALTR-UHFFFAOYSA-N
XLogP5.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.97
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-chloro-4-cyclohexyl-5-methylpyridine
CID 146459064
1-chloro-4-(4-chloro-3-cyclohexylphenyl)-2-cyclohexylbenzene
CID 19787051
3,8-dicyclohexyl-1-N,1-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58383868
2-(4-tert-butylphenyl)-5-chloro-4-(4-cyclohexylphenyl)pyridine
CID 171405147
1-[4-(4-cyclohexyl-3-fluorophenyl)phenyl]-4-ethoxy-2,3-difluorobenzene
CID 159997801
5-(2-chloro-5-fluoro-4-pyridinyl)-3-cyclopropyl-2-methylindazole
CID 170164813
4-chloro-2-cyclohexyl-1-methoxybenzene
CID 71228183
[4-[2-(cyclohexylmethyl)-6-methyl-1H-inden-4-yl]phenyl]-trimethylsilane
CID 87475329
[4-[2-(cyclohexylmethylidene)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;zirconium
CID 150657564
4-chloro-2-cyclododecyl-6-phenylphenol
CID 157022495
5-chloro-3-cyclohexyl-1-methylindole
CID 135084055
1-N,6-N-bis(4-cyclobutylphenyl)-1-N,6-N-bis(4-propan-2-ylphenyl)-3,8-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58322740

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloro-5-cyclohexyl-4-pyridinyl)phenyl]-trimethylsilane?
The IUPAC name of [4-(2-chloro-5-cyclohexyl-4-pyridinyl)phenyl]-trimethylsilane (CID 154729696) is [4-(2-chloro-5-cyclohexyl-4-pyridinyl)phenyl]-trimethylsilane.
What is the SMILES notation for [4-(2-chloro-5-cyclohexyl-4-pyridinyl)phenyl]-trimethylsilane?
The canonical SMILES for [4-(2-chloro-5-cyclohexyl-4-pyridinyl)phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2cc(Cl)ncc2C2CCCCC2)cc1.
What is the InChIKey of [4-(2-chloro-5-cyclohexyl-4-pyridinyl)phenyl]-trimethylsilane?
The InChIKey is QNWSCYHBWPALTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNSi/c1-23(2,3)17-11-9-16(10-12-17)18-13-20(21)22-14-19(18)15-7-5-4-6-8-15/h9-15H,4-8H2,1-3H3.
What are the key properties of [4-(2-chloro-5-cyclohexyl-4-pyridinyl)phenyl]-trimethylsilane?
[4-(2-chloro-5-cyclohexyl-4-pyridinyl)phenyl]-trimethylsilane has a molecular weight of 343.97 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloro-5-cyclohexyl-4-pyridinyl)phenyl]-trimethylsilane is sourced from PubChem (CID 154729696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).