5-chloro-3-(dimethylamino)-2-methoxybenzoic acid

C10H12ClNO3 — CID 10728138

IUPAC5-chloro-3-(dimethylamino)-2-methoxybenzoic acid
SMILESCOc1c(C(=O)O)cc(Cl)cc1N(C)C
InChIInChI=1S/C10H12ClNO3/c1-12(2)8-5-6(11)4-7(10(13)14)9(8)15-3/h4-5H,1-3H3,(H,13,14)
InChIKeyGSKDHGYULBIMPB-UHFFFAOYSA-N
MW229.66 g/mol
LogP2.11
Rot. Bonds3

About 5-chloro-3-(dimethylamino)-2-methoxybenzoic acid

5-chloro-3-(dimethylamino)-2-methoxybenzoic acid (PubChem CID 10728138) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 5-chloro-3-(dimethylamino)-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-chloro-3-(dimethylamino)-2-methoxybenzoic acid
PubChem CID10728138
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name5-chloro-3-(dimethylamino)-2-methoxybenzoic acid
SMILESCOc1c(C(=O)O)cc(Cl)cc1N(C)C
InChIInChI=1S/C10H12ClNO3/c1-12(2)8-5-6(11)4-7(10(13)14)9(8)15-3/h4-5H,1-3H3,(H,13,14)
InChIKeyGSKDHGYULBIMPB-UHFFFAOYSA-N
XLogP2.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methoxy-3-(methoxymethyl)benzoic acid
CID 83894548
5-chloro-3-[ethyl(methyl)sulfamoyl]-2-methoxybenzoic acid
CID 43510560
5-chloro-2-methoxy-3-nitrobenzoic acid
CID 43449069
3-[bis(2-methoxyethyl)carbamoyl]-5-chloro-2-methoxybenzoic acid
CID 171074357
3,5-dichloro-2-(2-methoxyethoxy)benzoic acid
CID 43516035
5-chloro-3-[[chloro(2-methoxyethyl)amino]methyl]-2-methoxybenzoic acid
CID 171074177
5-chloro-2-methoxy-3-(2-methylsulfonylethylsulfonyl)benzoic acid
CID 60916346
5-chloro-2-methoxy-3-[methyl(2-methylsulfanylethyl)sulfamoyl]benzoic acid
CID 115985481
2-(3,5-dichloro-2-methoxyphenyl)-2-oxoacetic acid
CID 82296770
5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid
CID 104665647
N-(3,5-dichloro-2-methoxyphenyl)-N-methylcarbamoyl chloride
CID 115194513
CID 88884522
CID 88884522

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(dimethylamino)-2-methoxybenzoic acid?
The IUPAC name of 5-chloro-3-(dimethylamino)-2-methoxybenzoic acid (CID 10728138) is 5-chloro-3-(dimethylamino)-2-methoxybenzoic acid.
What is the SMILES notation for 5-chloro-3-(dimethylamino)-2-methoxybenzoic acid?
The canonical SMILES for 5-chloro-3-(dimethylamino)-2-methoxybenzoic acid is COc1c(C(=O)O)cc(Cl)cc1N(C)C.
What is the InChIKey of 5-chloro-3-(dimethylamino)-2-methoxybenzoic acid?
The InChIKey is GSKDHGYULBIMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-12(2)8-5-6(11)4-7(10(13)14)9(8)15-3/h4-5H,1-3H3,(H,13,14).
What are the key properties of 5-chloro-3-(dimethylamino)-2-methoxybenzoic acid?
5-chloro-3-(dimethylamino)-2-methoxybenzoic acid has a molecular weight of 229.66 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(dimethylamino)-2-methoxybenzoic acid is sourced from PubChem (CID 10728138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).