2-amino-5-chloro-3-(2-fluoroethyl)benzoic acid

C9H9ClFNO2 — CID 174573220

IUPAC2-amino-5-chloro-3-(2-fluoroethyl)benzoic acid
SMILESNc1c(CCF)cc(Cl)cc1C(=O)O
InChIInChI=1S/C9H9ClFNO2/c10-6-3-5(1-2-11)8(12)7(4-6)9(13)14/h3-4H,1-2,12H2,(H,13,14)
InChIKeyXAZVORGBZLVGIW-UHFFFAOYSA-N
MW217.63 g/mol
LogP2.13
Rot. Bonds3

About 2-amino-5-chloro-3-(2-fluoroethyl)benzoic acid

2-amino-5-chloro-3-(2-fluoroethyl)benzoic acid (PubChem CID 174573220) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is 2-amino-5-chloro-3-(2-fluoroethyl)benzoic acid.

Molecular Properties

Compound Name2-amino-5-chloro-3-(2-fluoroethyl)benzoic acid
PubChem CID174573220
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC Name2-amino-5-chloro-3-(2-fluoroethyl)benzoic acid
SMILESNc1c(CCF)cc(Cl)cc1C(=O)O
InChIInChI=1S/C9H9ClFNO2/c10-6-3-5(1-2-11)8(12)7(4-6)9(13)14/h3-4H,1-2,12H2,(H,13,14)
InChIKeyXAZVORGBZLVGIW-UHFFFAOYSA-N
XLogP2.13
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-chloro-3-iodobenzoic acid
CID 53441656
3-(bromomethyl)-5-chloro-2-fluorobenzoic acid
CID 171019585
2-amino-3-tert-butyl-5-chlorobenzoic acid
CID 142738161
2-amino-5-chloro-3-cyanobenzoic acid
CID 72545064
5-chloro-2,3-bis(hydroxymethyl)benzoic acid
CID 174496001
2-amino-3-(2-carboxyethenyl)-5-chlorobenzoic acid
CID 169460835
5-chloro-2-fluoro-3-methylbenzoic acid
CID 79002360
5-chloro-3-fluoro-2-iodobenzoic acid
CID 171001878
2-[2-amino-5-chloro-3-(4-iodobenzoyl)phenyl]acetic acid
CID 13408278
3,5-dichloro-2-(3-fluoropropoxy)benzoic acid
CID 81106842
5-chloro-2-fluoro-3-(2-fluoroethylsulfonyl)benzoic acid
CID 80694120
3-(3-acetamidoprop-1-enyl)-2-amino-5-chlorobenzoic acid
CID 169466086

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-3-(2-fluoroethyl)benzoic acid?
The IUPAC name of 2-amino-5-chloro-3-(2-fluoroethyl)benzoic acid (CID 174573220) is 2-amino-5-chloro-3-(2-fluoroethyl)benzoic acid.
What is the SMILES notation for 2-amino-5-chloro-3-(2-fluoroethyl)benzoic acid?
The canonical SMILES for 2-amino-5-chloro-3-(2-fluoroethyl)benzoic acid is Nc1c(CCF)cc(Cl)cc1C(=O)O.
What is the InChIKey of 2-amino-5-chloro-3-(2-fluoroethyl)benzoic acid?
The InChIKey is XAZVORGBZLVGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/c10-6-3-5(1-2-11)8(12)7(4-6)9(13)14/h3-4H,1-2,12H2,(H,13,14).
What are the key properties of 2-amino-5-chloro-3-(2-fluoroethyl)benzoic acid?
2-amino-5-chloro-3-(2-fluoroethyl)benzoic acid has a molecular weight of 217.63 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-3-(2-fluoroethyl)benzoic acid is sourced from PubChem (CID 174573220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).