5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloropyridine-2-carboxylic acid

C13H20ClNO3Si — CID 141255252

IUPAC5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloropyridine-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCc1cnc(C(=O)O)c(Cl)c1
InChIInChI=1S/C13H20ClNO3Si/c1-13(2,3)19(4,5)18-8-9-6-10(14)11(12(16)17)15-7-9/h6-7H,8H2,1-5H3,(H,16,17)
InChIKeyJZHMZCUPFDSUKG-UHFFFAOYSA-N
MW301.85 g/mol
LogP3.95
Rot. Bonds4

About 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloropyridine-2-carboxylic acid

5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloropyridine-2-carboxylic acid (PubChem CID 141255252) has the molecular formula C13H20ClNO3Si and a molecular weight of 301.85 g/mol. Its IUPAC name is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloropyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloropyridine-2-carboxylic acid
PubChem CID141255252
Molecular FormulaC13H20ClNO3Si
Molecular Weight301.85 g/mol
Exact Mass301.09
IUPAC Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloropyridine-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCc1cnc(C(=O)O)c(Cl)c1
InChIInChI=1S/C13H20ClNO3Si/c1-13(2,3)19(4,5)18-8-9-6-10(14)11(12(16)17)15-7-9/h6-7H,8H2,1-5H3,(H,16,17)
InChIKeyJZHMZCUPFDSUKG-UHFFFAOYSA-N
XLogP3.95
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.85
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2-chloropyrimidin-5-yl)methoxy]-dimethylsilane
CID 140802501
3-chloro-5-(iodomethyl)pyridine-2-carboxylic acid
CID 89158028
3-chloro-5-[(dimethylamino)methyl]pyridine-2-carboxylic acid;hydrochloride
CID 155338745
tert-butyl-[(4,6-dichloro-3-pyridinyl)methoxy]-dimethylsilane
CID 131749614
[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-5-chloro-2-fluorophenyl]carbamic acid
CID 174106046
(Z)-3-[5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-2-pyridinyl]-5-phenylpent-2-enoic acid
CID 90374214
5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carbaldehyde
CID 6425101
bis[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethylphenyl] carbonate
CID 10325443
5-amino-3-chloropyridine-2-carboxylic acid
CID 71651238
methyl N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]carbamate
CID 67148148
methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate
CID 90375137
acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate
CID 90798603

Frequently Asked Questions

What is the IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloropyridine-2-carboxylic acid?
The IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloropyridine-2-carboxylic acid (CID 141255252) is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloropyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloropyridine-2-carboxylic acid?
The canonical SMILES for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloropyridine-2-carboxylic acid is CC(C)(C)[Si](C)(C)OCc1cnc(C(=O)O)c(Cl)c1.
What is the InChIKey of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloropyridine-2-carboxylic acid?
The InChIKey is JZHMZCUPFDSUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3Si/c1-13(2,3)19(4,5)18-8-9-6-10(14)11(12(16)17)15-7-9/h6-7H,8H2,1-5H3,(H,16,17).
What are the key properties of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloropyridine-2-carboxylic acid?
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloropyridine-2-carboxylic acid has a molecular weight of 301.85 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloropyridine-2-carboxylic acid is sourced from PubChem (CID 141255252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).