2-amino-4-chloro-3-trimethylsilyloxybenzoic acid

C10H14ClNO3Si — CID 167731210

IUPAC2-amino-4-chloro-3-trimethylsilyloxybenzoic acid
SMILESC[Si](C)(C)Oc1c(Cl)ccc(C(=O)O)c1N
InChIInChI=1S/C10H14ClNO3Si/c1-16(2,3)15-9-7(11)5-4-6(8(9)12)10(13)14/h4-5H,12H2,1-3H3,(H,13,14)
InChIKeyXIUBTISXCJRZQA-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.83
Rot. Bonds3

About 2-amino-4-chloro-3-trimethylsilyloxybenzoic acid

2-amino-4-chloro-3-trimethylsilyloxybenzoic acid (PubChem CID 167731210) has the molecular formula C10H14ClNO3Si and a molecular weight of 259.76 g/mol. Its IUPAC name is 2-amino-4-chloro-3-trimethylsilyloxybenzoic acid.

Molecular Properties

Compound Name2-amino-4-chloro-3-trimethylsilyloxybenzoic acid
PubChem CID167731210
Molecular FormulaC10H14ClNO3Si
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name2-amino-4-chloro-3-trimethylsilyloxybenzoic acid
SMILESC[Si](C)(C)Oc1c(Cl)ccc(C(=O)O)c1N
InChIInChI=1S/C10H14ClNO3Si/c1-16(2,3)15-9-7(11)5-4-6(8(9)12)10(13)14/h4-5H,12H2,1-3H3,(H,13,14)
InChIKeyXIUBTISXCJRZQA-UHFFFAOYSA-N
XLogP2.83
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-diamino-4-chlorobenzoic acid
CID 10655174
3-amino-4-chloro-2-methoxybenzoic acid
CID 84670289
2-amino-3-methoxyterephthalic acid
CID 132516468
2-amino-4-chloro-3-fluorobenzoic acid
CID 28974171
5-bromo-3-chloro-2-trimethylsilyloxybenzoic acid
CID 167718232
3-iodo-2-trimethylsilyloxybenzoic acid
CID 167722923
3-chloro-5-methoxy-2-trimethylsilyloxybenzoic acid
CID 167741862
3-tert-butylperoxy-2,4-dichlorobenzoic acid
CID 88604863
3-amino-5-chloro-2,4-dimethoxybenzoic acid
CID 84695063
3-amino-4-chloro-2-sulfamoylbenzoic acid
CID 70516592
1-(3-amino-2-trimethylsilyloxyphenyl)ethanone
CID 167720132
3,4-diamino-2-chlorobenzoic acid
CID 154372958

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-3-trimethylsilyloxybenzoic acid?
The IUPAC name of 2-amino-4-chloro-3-trimethylsilyloxybenzoic acid (CID 167731210) is 2-amino-4-chloro-3-trimethylsilyloxybenzoic acid.
What is the SMILES notation for 2-amino-4-chloro-3-trimethylsilyloxybenzoic acid?
The canonical SMILES for 2-amino-4-chloro-3-trimethylsilyloxybenzoic acid is C[Si](C)(C)Oc1c(Cl)ccc(C(=O)O)c1N.
What is the InChIKey of 2-amino-4-chloro-3-trimethylsilyloxybenzoic acid?
The InChIKey is XIUBTISXCJRZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3Si/c1-16(2,3)15-9-7(11)5-4-6(8(9)12)10(13)14/h4-5H,12H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-4-chloro-3-trimethylsilyloxybenzoic acid?
2-amino-4-chloro-3-trimethylsilyloxybenzoic acid has a molecular weight of 259.76 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-3-trimethylsilyloxybenzoic acid is sourced from PubChem (CID 167731210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).