2-amino-3-chloro-4,6-dimethoxybenzoic acid

C9H10ClNO4 — CID 136575886

IUPAC2-amino-3-chloro-4,6-dimethoxybenzoic acid
SMILESCOc1cc(OC)c(C(=O)O)c(N)c1Cl
InChIInChI=1S/C9H10ClNO4/c1-14-4-3-5(15-2)7(10)8(11)6(4)9(12)13/h3H,11H2,1-2H3,(H,12,13)
InChIKeyYFNWCKDEWLHZNY-UHFFFAOYSA-N
MW231.63 g/mol
LogP1.64
Rot. Bonds3

About 2-amino-3-chloro-4,6-dimethoxybenzoic acid

2-amino-3-chloro-4,6-dimethoxybenzoic acid (PubChem CID 136575886) has the molecular formula C9H10ClNO4 and a molecular weight of 231.63 g/mol. Its IUPAC name is 2-amino-3-chloro-4,6-dimethoxybenzoic acid.

Molecular Properties

Compound Name2-amino-3-chloro-4,6-dimethoxybenzoic acid
PubChem CID136575886
Molecular FormulaC9H10ClNO4
Molecular Weight231.63 g/mol
Exact Mass231.03
IUPAC Name2-amino-3-chloro-4,6-dimethoxybenzoic acid
SMILESCOc1cc(OC)c(C(=O)O)c(N)c1Cl
InChIInChI=1S/C9H10ClNO4/c1-14-4-3-5(15-2)7(10)8(11)6(4)9(12)13/h3H,11H2,1-2H3,(H,12,13)
InChIKeyYFNWCKDEWLHZNY-UHFFFAOYSA-N
XLogP1.64
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.63
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid
CID 151960724
2-amino-3-bromo-6-methoxybenzoic acid
CID 62378772
2,6-dichloro-3,5-dimethoxyaniline;N-(2,6-dichloro-3,5-dimethoxyphenyl)acetamide
CID 159426451
2-chloro-6-fluoro-5-methoxy-3-methylaniline;2-chloro-6-fluoro-5-methoxy-3-methylbenzoic acid
CID 157165383
4-amino-3-chloro-2-fluoro-5-methoxybenzoic acid
CID 155684201
2,6-dichloro-3,5-dimethoxybenzoyl chloride
CID 156633344
3-amino-2-chloro-5-methoxy-4-methylbenzoic acid
CID 84681342
4-chloro-2-fluoro-6-methoxybenzoic acid
CID 53399475
2-amino-6-bromo-3-chloro-4-methoxycarbonylbenzoic acid
CID 115356891
3-chloro-2-fluoro-5,6-dimethoxybenzoic acid
CID 117341260
5-chloro-2-fluoro-3,6-dimethoxybenzoic acid
CID 84797146
2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid
CID 117314957

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-4,6-dimethoxybenzoic acid?
The IUPAC name of 2-amino-3-chloro-4,6-dimethoxybenzoic acid (CID 136575886) is 2-amino-3-chloro-4,6-dimethoxybenzoic acid.
What is the SMILES notation for 2-amino-3-chloro-4,6-dimethoxybenzoic acid?
The canonical SMILES for 2-amino-3-chloro-4,6-dimethoxybenzoic acid is COc1cc(OC)c(C(=O)O)c(N)c1Cl.
What is the InChIKey of 2-amino-3-chloro-4,6-dimethoxybenzoic acid?
The InChIKey is YFNWCKDEWLHZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO4/c1-14-4-3-5(15-2)7(10)8(11)6(4)9(12)13/h3H,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-3-chloro-4,6-dimethoxybenzoic acid?
2-amino-3-chloro-4,6-dimethoxybenzoic acid has a molecular weight of 231.63 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-4,6-dimethoxybenzoic acid is sourced from PubChem (CID 136575886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).