methyl 2-amino-3-chloro-4-hydroxy-5-methylbenzoate

C9H10ClNO3 — CID 174640737

IUPACmethyl 2-amino-3-chloro-4-hydroxy-5-methylbenzoate
SMILESCOC(=O)c1cc(C)c(O)c(Cl)c1N
InChIInChI=1S/C9H10ClNO3/c1-4-3-5(9(13)14-2)7(11)6(10)8(4)12/h3,12H,11H2,1-2H3
InChIKeyOMPFGGGYHWCXAN-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.72
Rot. Bonds1

About methyl 2-amino-3-chloro-4-hydroxy-5-methylbenzoate

methyl 2-amino-3-chloro-4-hydroxy-5-methylbenzoate (PubChem CID 174640737) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is methyl 2-amino-3-chloro-4-hydroxy-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-amino-3-chloro-4-hydroxy-5-methylbenzoate
PubChem CID174640737
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Namemethyl 2-amino-3-chloro-4-hydroxy-5-methylbenzoate
SMILESCOC(=O)c1cc(C)c(O)c(Cl)c1N
InChIInChI=1S/C9H10ClNO3/c1-4-3-5(9(13)14-2)7(11)6(10)8(4)12/h3,12H,11H2,1-2H3
InChIKeyOMPFGGGYHWCXAN-UHFFFAOYSA-N
XLogP1.72
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-amino-3-chloro-4-hydroxy-5-methylbenzoate 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

methyl 3-amino-4-hydroxy-2-methoxy-5-methylbenzoate
CID 84734505
methyl 3-amino-4,5-dichloro-2-hydroxybenzoate
CID 23046751
methyl 2-amino-3,5-dimethylbenzoate
CID 10702497
methyl 2-amino-4-bromo-3-chloro-5-iodobenzoate
CID 164903786
methyl 3-chloro-2-hydroxy-4-methylbenzoate
CID 131421304
dimethyl 2,5-diaminobenzene-1,3-dicarboxylate
CID 46260640
methyl 2-amino-5-iodo-3-methylbenzoate
CID 121230653
methyl 4-amino-3-methoxy-2,5-dimethylbenzoate
CID 84780550
methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate
CID 26369957
methyl 3-amino-2,6-dichloro-4-methylbenzoate
CID 58277770
3-amino-4-bromo-2-chloro-6-methylphenol
CID 126970522
dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate
CID 91737513

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-chloro-4-hydroxy-5-methylbenzoate?
The IUPAC name of methyl 2-amino-3-chloro-4-hydroxy-5-methylbenzoate (CID 174640737) is methyl 2-amino-3-chloro-4-hydroxy-5-methylbenzoate.
What is the SMILES notation for methyl 2-amino-3-chloro-4-hydroxy-5-methylbenzoate?
The canonical SMILES for methyl 2-amino-3-chloro-4-hydroxy-5-methylbenzoate is COC(=O)c1cc(C)c(O)c(Cl)c1N.
What is the InChIKey of methyl 2-amino-3-chloro-4-hydroxy-5-methylbenzoate?
The InChIKey is OMPFGGGYHWCXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-4-3-5(9(13)14-2)7(11)6(10)8(4)12/h3,12H,11H2,1-2H3.
What are the key properties of methyl 2-amino-3-chloro-4-hydroxy-5-methylbenzoate?
methyl 2-amino-3-chloro-4-hydroxy-5-methylbenzoate has a molecular weight of 215.64 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-chloro-4-hydroxy-5-methylbenzoate is sourced from PubChem (CID 174640737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).