2-(2-amino-4-chloro-5-fluorophenyl)acetic acid

C8H7ClFNO2 — CID 19763734

IUPAC2-(2-amino-4-chloro-5-fluorophenyl)acetic acid
SMILESNc1cc(Cl)c(F)cc1CC(=O)O
InChIInChI=1S/C8H7ClFNO2/c9-5-3-7(11)4(1-6(5)10)2-8(12)13/h1,3H,2,11H2,(H,12,13)
InChIKeyZVQARLYKPPIEAQ-UHFFFAOYSA-N
MW203.60 g/mol
LogP1.69
Rot. Bonds2

About 2-(2-amino-4-chloro-5-fluorophenyl)acetic acid

2-(2-amino-4-chloro-5-fluorophenyl)acetic acid (PubChem CID 19763734) has the molecular formula C8H7ClFNO2 and a molecular weight of 203.60 g/mol. Its IUPAC name is 2-(2-amino-4-chloro-5-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-4-chloro-5-fluorophenyl)acetic acid
PubChem CID19763734
Molecular FormulaC8H7ClFNO2
Molecular Weight203.60 g/mol
Exact Mass203.01
IUPAC Name2-(2-amino-4-chloro-5-fluorophenyl)acetic acid
SMILESNc1cc(Cl)c(F)cc1CC(=O)O
InChIInChI=1S/C8H7ClFNO2/c9-5-3-7(11)4(1-6(5)10)2-8(12)13/h1,3H,2,11H2,(H,12,13)
InChIKeyZVQARLYKPPIEAQ-UHFFFAOYSA-N
XLogP1.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.60
LogP ≤ 51.69
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-(2-amino-4-bromo-5-fluorophenyl)acetic acid
CID 131517676
2-(2-bromo-5-chloro-4-fluorophenyl)acetic acid
CID 68614790
5-[2-(2-amino-4-chloro-5-fluorophenyl)acetyl]-1,3-dihydroinden-2-one
CID 149240871
5-chloro-4-fluoro-2-(2-fluoropropyl)aniline
CID 170986717
2-(4-amino-5-fluoro-2-methylphenyl)acetic acid
CID 91755197
3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid
CID 84784993
3-(2,5-dichloro-4-fluorophenyl)propanoic acid
CID 84699843
2-(5-chloro-4-fluoro-2-pyridinyl)acetic acid
CID 130775275
CID 6330703
CID 6330703
2-(3,4-dichloro-5-fluoro-2-hydroxyphenyl)acetic acid
CID 83898337
2-(3,5-diamino-4-chlorophenyl)acetic acid
CID 70542529
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chloro-5-fluorophenyl)acetic acid?
The IUPAC name of 2-(2-amino-4-chloro-5-fluorophenyl)acetic acid (CID 19763734) is 2-(2-amino-4-chloro-5-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(2-amino-4-chloro-5-fluorophenyl)acetic acid?
The canonical SMILES for 2-(2-amino-4-chloro-5-fluorophenyl)acetic acid is Nc1cc(Cl)c(F)cc1CC(=O)O.
What is the InChIKey of 2-(2-amino-4-chloro-5-fluorophenyl)acetic acid?
The InChIKey is ZVQARLYKPPIEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO2/c9-5-3-7(11)4(1-6(5)10)2-8(12)13/h1,3H,2,11H2,(H,12,13).
What are the key properties of 2-(2-amino-4-chloro-5-fluorophenyl)acetic acid?
2-(2-amino-4-chloro-5-fluorophenyl)acetic acid has a molecular weight of 203.60 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chloro-5-fluorophenyl)acetic acid is sourced from PubChem (CID 19763734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).