5-chloro-4-(trifluoromethyl)-6-trimethylsilylpyridine-3-carboxylic acid

C10H11ClF3NO2Si — CID 11231809

IUPAC5-chloro-4-(trifluoromethyl)-6-trimethylsilylpyridine-3-carboxylic acid
SMILESC[Si](C)(C)c1ncc(C(=O)O)c(C(F)(F)F)c1Cl
InChIInChI=1S/C10H11ClF3NO2Si/c1-18(2,3)8-7(11)6(10(12,13)14)5(4-15-8)9(16)17/h4H,1-3H3,(H,16,17)
InChIKeyUICCAUABBDFYEQ-UHFFFAOYSA-N
MW297.74 g/mol
LogP3.00
Rot. Bonds2

About 5-chloro-4-(trifluoromethyl)-6-trimethylsilylpyridine-3-carboxylic acid

5-chloro-4-(trifluoromethyl)-6-trimethylsilylpyridine-3-carboxylic acid (PubChem CID 11231809) has the molecular formula C10H11ClF3NO2Si and a molecular weight of 297.74 g/mol. Its IUPAC name is 5-chloro-4-(trifluoromethyl)-6-trimethylsilylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-4-(trifluoromethyl)-6-trimethylsilylpyridine-3-carboxylic acid
PubChem CID11231809
Molecular FormulaC10H11ClF3NO2Si
Molecular Weight297.74 g/mol
Exact Mass297.02
IUPAC Name5-chloro-4-(trifluoromethyl)-6-trimethylsilylpyridine-3-carboxylic acid
SMILESC[Si](C)(C)c1ncc(C(=O)O)c(C(F)(F)F)c1Cl
InChIInChI=1S/C10H11ClF3NO2Si/c1-18(2,3)8-7(11)6(10(12,13)14)5(4-15-8)9(16)17/h4H,1-3H3,(H,16,17)
InChIKeyUICCAUABBDFYEQ-UHFFFAOYSA-N
XLogP3.00
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-8-methyl-4-(trifluoromethyl)quinoline-3-carboxylic acid
CID 16779843
3-(2,2-dimethylpropyl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 62233544
6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118814694
6-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 134680090
2,4-dichloro-3-(trifluoromethyl)benzoic acid
CID 11680461
8-methoxy-5-methyl-4-(trifluoromethyl)quinoline-3-carboxylic acid
CID 16779833
5-amino-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 130664018
3-chloro-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 1480664
6-methylsulfanyl-4-(trifluoromethyl)quinoline-3-carboxylic acid
CID 16779855
4-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 134680069
2-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine-4-carboxylic acid
CID 118853209
5-borono-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 91882810

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(trifluoromethyl)-6-trimethylsilylpyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-4-(trifluoromethyl)-6-trimethylsilylpyridine-3-carboxylic acid (CID 11231809) is 5-chloro-4-(trifluoromethyl)-6-trimethylsilylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-4-(trifluoromethyl)-6-trimethylsilylpyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-4-(trifluoromethyl)-6-trimethylsilylpyridine-3-carboxylic acid is C[Si](C)(C)c1ncc(C(=O)O)c(C(F)(F)F)c1Cl.
What is the InChIKey of 5-chloro-4-(trifluoromethyl)-6-trimethylsilylpyridine-3-carboxylic acid?
The InChIKey is UICCAUABBDFYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO2Si/c1-18(2,3)8-7(11)6(10(12,13)14)5(4-15-8)9(16)17/h4H,1-3H3,(H,16,17).
What are the key properties of 5-chloro-4-(trifluoromethyl)-6-trimethylsilylpyridine-3-carboxylic acid?
5-chloro-4-(trifluoromethyl)-6-trimethylsilylpyridine-3-carboxylic acid has a molecular weight of 297.74 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(trifluoromethyl)-6-trimethylsilylpyridine-3-carboxylic acid is sourced from PubChem (CID 11231809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).