[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-5-chloro-2-fluorophenyl]carbamic acid

C19H24ClFN2O3Si — CID 174106046

IUPAC[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-5-chloro-2-fluorophenyl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OCc1cncc(-c2cc(F)c(NC(=O)O)cc2Cl)c1
InChIInChI=1S/C19H24ClFN2O3Si/c1-19(2,3)27(4,5)26-11-12-6-13(10-22-9-12)14-7-16(21)17(8-15(14)20)23-18(24)25/h6-10,23H,11H2,1-5H3,(H,24,25)
InChIKeyJWUXRIPEGRFLKW-UHFFFAOYSA-N
MW410.95 g/mol
LogP6.15
Rot. Bonds5

About [4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-5-chloro-2-fluorophenyl]carbamic acid

[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-5-chloro-2-fluorophenyl]carbamic acid (PubChem CID 174106046) has the molecular formula C19H24ClFN2O3Si and a molecular weight of 410.95 g/mol. Its IUPAC name is [4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-5-chloro-2-fluorophenyl]carbamic acid.

Molecular Properties

Compound Name[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-5-chloro-2-fluorophenyl]carbamic acid
PubChem CID174106046
Molecular FormulaC19H24ClFN2O3Si
Molecular Weight410.95 g/mol
Exact Mass410.12
IUPAC Name[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-5-chloro-2-fluorophenyl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OCc1cncc(-c2cc(F)c(NC(=O)O)cc2Cl)c1
InChIInChI=1S/C19H24ClFN2O3Si/c1-19(2,3)27(4,5)26-11-12-6-13(10-22-9-12)14-7-16(21)17(8-15(14)20)23-18(24)25/h6-10,23H,11H2,1-5H3,(H,24,25)
InChIKeyJWUXRIPEGRFLKW-UHFFFAOYSA-N
XLogP6.15
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.95
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloropyridine-2-carboxylic acid
CID 141255252
[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-fluorophenyl]methylcarbamic acid
CID 68910061
tert-butyl-dimethyl-[(3,4,5-trifluorophenyl)methoxy]silane
CID 91735449
[5-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-chloro-5-methoxyanilino]-4-oxobutyl]-2-phenylphenyl]carbamic acid
CID 66596925
2-bromo-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanone
CID 90062085
tert-butyl-[(4-ethyl-3-methylphenyl)methoxy]-dimethylsilane
CID 167684834
5-(2-chloro-4,5-dimethylphenyl)pyridine-3-carboxylic acid
CID 113319492
2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]methyl]isoindole-1,3-dione
CID 172562700
tert-butyl-[(2-chloropyrimidin-5-yl)methoxy]-dimethylsilane
CID 140802501
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(2-methyl-3-phenylphenyl)-1,3-oxazole-2-carboxamide
CID 140846831
bis[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethylphenyl] carbonate
CID 10325443
methyl N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]carbamate
CID 67148148

Frequently Asked Questions

What is the IUPAC name of [4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-5-chloro-2-fluorophenyl]carbamic acid?
The IUPAC name of [4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-5-chloro-2-fluorophenyl]carbamic acid (CID 174106046) is [4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-5-chloro-2-fluorophenyl]carbamic acid.
What is the SMILES notation for [4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-5-chloro-2-fluorophenyl]carbamic acid?
The canonical SMILES for [4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-5-chloro-2-fluorophenyl]carbamic acid is CC(C)(C)[Si](C)(C)OCc1cncc(-c2cc(F)c(NC(=O)O)cc2Cl)c1.
What is the InChIKey of [4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-5-chloro-2-fluorophenyl]carbamic acid?
The InChIKey is JWUXRIPEGRFLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN2O3Si/c1-19(2,3)27(4,5)26-11-12-6-13(10-22-9-12)14-7-16(21)17(8-15(14)20)23-18(24)25/h6-10,23H,11H2,1-5H3,(H,24,25).
What are the key properties of [4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-5-chloro-2-fluorophenyl]carbamic acid?
[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-5-chloro-2-fluorophenyl]carbamic acid has a molecular weight of 410.95 g/mol, XLogP of 6.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-5-chloro-2-fluorophenyl]carbamic acid is sourced from PubChem (CID 174106046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).