2-amino-3-fluoro-4-hydroxy-5-methylbenzoic acid

C8H8FNO3 — CID 151763144

IUPAC2-amino-3-fluoro-4-hydroxy-5-methylbenzoic acid
SMILESCc1cc(C(=O)O)c(N)c(F)c1O
InChIInChI=1S/C8H8FNO3/c1-3-2-4(8(12)13)6(10)5(9)7(3)11/h2,11H,10H2,1H3,(H,12,13)
InChIKeyRQZKLJMBZGIJOV-UHFFFAOYSA-N
MW185.15 g/mol
LogP1.12
Rot. Bonds1

About 2-amino-3-fluoro-4-hydroxy-5-methylbenzoic acid

2-amino-3-fluoro-4-hydroxy-5-methylbenzoic acid (PubChem CID 151763144) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is 2-amino-3-fluoro-4-hydroxy-5-methylbenzoic acid.

Molecular Properties

Compound Name2-amino-3-fluoro-4-hydroxy-5-methylbenzoic acid
PubChem CID151763144
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Name2-amino-3-fluoro-4-hydroxy-5-methylbenzoic acid
SMILESCc1cc(C(=O)O)c(N)c(F)c1O
InChIInChI=1S/C8H8FNO3/c1-3-2-4(8(12)13)6(10)5(9)7(3)11/h2,11H,10H2,1H3,(H,12,13)
InChIKeyRQZKLJMBZGIJOV-UHFFFAOYSA-N
XLogP1.12
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-4-hydroxy-5-methylbenzoic acid
CID 141463270
4-amino-3-fluoro-2,5-dimethylbenzoic acid
CID 84768928
2-amino-3,4,5-trimethylbenzoic acid
CID 22633906
3,4-dihydroxy-2,5-dimethylbenzoic acid
CID 18992107
3-amino-4,5-difluoro-2-hydroxybenzoic acid
CID 83817838
3-fluoro-2,4,5-trimethylbenzoic acid
CID 21472508
2,6-difluoro-5-methylpyridine-3-carboxylic acid
CID 21303212
3-bromo-2,4-dihydroxy-5-methylbenzoic acid
CID 84803245
2-(2-fluoro-3,4-dihydroxy-5-methylphenyl)-2-oxoacetic acid
CID 117304895
3-amino-2-hydroxy-4-methoxy-5-methylbenzoic acid
CID 84667419
3-fluoro-2-hydroxy-4-methoxy-5-methylbenzoic acid
CID 84775698
3-chloro-2,4-dihydroxy-5-methylbenzoic acid
CID 84776985

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-4-hydroxy-5-methylbenzoic acid?
The IUPAC name of 2-amino-3-fluoro-4-hydroxy-5-methylbenzoic acid (CID 151763144) is 2-amino-3-fluoro-4-hydroxy-5-methylbenzoic acid.
What is the SMILES notation for 2-amino-3-fluoro-4-hydroxy-5-methylbenzoic acid?
The canonical SMILES for 2-amino-3-fluoro-4-hydroxy-5-methylbenzoic acid is Cc1cc(C(=O)O)c(N)c(F)c1O.
What is the InChIKey of 2-amino-3-fluoro-4-hydroxy-5-methylbenzoic acid?
The InChIKey is RQZKLJMBZGIJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3/c1-3-2-4(8(12)13)6(10)5(9)7(3)11/h2,11H,10H2,1H3,(H,12,13).
What are the key properties of 2-amino-3-fluoro-4-hydroxy-5-methylbenzoic acid?
2-amino-3-fluoro-4-hydroxy-5-methylbenzoic acid has a molecular weight of 185.15 g/mol, XLogP of 1.12, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-4-hydroxy-5-methylbenzoic acid is sourced from PubChem (CID 151763144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).