sodium 4-amino-5-chloro-2-methoxybenzoate

C8H7ClNNaO3 — CID 24820370

IUPACsodium 4-amino-5-chloro-2-methoxybenzoate
SMILESCOc1cc(N)c(Cl)cc1C(=O)[O-].[Na+]
InChIInChI=1S/C8H8ClNO3.Na/c1-13-7-3-6(10)5(9)2-4(7)8(11)12;/h2-3H,10H2,1H3,(H,11,12);/q;+1/p-1
InChIKeyKGPXXRPSMZHUTE-UHFFFAOYSA-M
MW223.59 g/mol
LogP-2.70
Rot. Bonds2

About sodium 4-amino-5-chloro-2-methoxybenzoate

sodium 4-amino-5-chloro-2-methoxybenzoate (PubChem CID 24820370) has the molecular formula C8H7ClNNaO3 and a molecular weight of 223.59 g/mol. Its IUPAC name is sodium 4-amino-5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Namesodium 4-amino-5-chloro-2-methoxybenzoate
PubChem CID24820370
Molecular FormulaC8H7ClNNaO3
Molecular Weight223.59 g/mol
Exact Mass223.00
IUPAC Namesodium 4-amino-5-chloro-2-methoxybenzoate
SMILESCOc1cc(N)c(Cl)cc1C(=O)[O-].[Na+]
InChIInChI=1S/C8H8ClNO3.Na/c1-13-7-3-6(10)5(9)2-4(7)8(11)12;/h2-3H,10H2,1H3,(H,11,12);/q;+1/p-1
InChIKeyKGPXXRPSMZHUTE-UHFFFAOYSA-M
XLogP-2.70
TPSA75.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.59
LogP ≤ 5-2.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze sodium 4-amino-5-chloro-2-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
sodium 4-amino-2-methoxy-5-nitrobenzoate
CID 21275767
4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 119790756
(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110465007
2-(dimethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate
CID 10802184
3,3-dimethylbutyl 4-amino-5-chloro-2-methoxybenzoate
CID 60733590
4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 119672646
propan-2-yloxycarbonyl 4-amino-5-chloro-2-methoxybenzoate
CID 102269821
4-amino-5-chloro-2-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)benzamide
CID 119802021
propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate
CID 119809764
4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226
4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide
CID 90103674

Frequently Asked Questions

What is the IUPAC name of sodium 4-amino-5-chloro-2-methoxybenzoate?
The IUPAC name of sodium 4-amino-5-chloro-2-methoxybenzoate (CID 24820370) is sodium 4-amino-5-chloro-2-methoxybenzoate.
What is the SMILES notation for sodium 4-amino-5-chloro-2-methoxybenzoate?
The canonical SMILES for sodium 4-amino-5-chloro-2-methoxybenzoate is COc1cc(N)c(Cl)cc1C(=O)[O-].[Na+].
What is the InChIKey of sodium 4-amino-5-chloro-2-methoxybenzoate?
The InChIKey is KGPXXRPSMZHUTE-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8ClNO3.Na/c1-13-7-3-6(10)5(9)2-4(7)8(11)12;/h2-3H,10H2,1H3,(H,11,12);/q;+1/p-1.
What are the key properties of sodium 4-amino-5-chloro-2-methoxybenzoate?
sodium 4-amino-5-chloro-2-methoxybenzoate has a molecular weight of 223.59 g/mol, XLogP of -2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-amino-5-chloro-2-methoxybenzoate is sourced from PubChem (CID 24820370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).