2-(2-cyano-3-fluoro-6-formylphenyl)-2-hydroxyacetic acid

C10H6FNO4 — CID 171017192

IUPAC2-(2-cyano-3-fluoro-6-formylphenyl)-2-hydroxyacetic acid
SMILESN#Cc1c(F)ccc(C=O)c1C(O)C(=O)O
InChIInChI=1S/C10H6FNO4/c11-7-2-1-5(4-13)8(6(7)3-12)9(14)10(15)16/h1-2,4,9,14H,(H,15,16)
InChIKeyAZEIMVZPQHGPGY-UHFFFAOYSA-N
MW223.16 g/mol
LogP0.63
Rot. Bonds3

About 2-(2-cyano-3-fluoro-6-formylphenyl)-2-hydroxyacetic acid

2-(2-cyano-3-fluoro-6-formylphenyl)-2-hydroxyacetic acid (PubChem CID 171017192) has the molecular formula C10H6FNO4 and a molecular weight of 223.16 g/mol. Its IUPAC name is 2-(2-cyano-3-fluoro-6-formylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-cyano-3-fluoro-6-formylphenyl)-2-hydroxyacetic acid
PubChem CID171017192
Molecular FormulaC10H6FNO4
Molecular Weight223.16 g/mol
Exact Mass223.03
IUPAC Name2-(2-cyano-3-fluoro-6-formylphenyl)-2-hydroxyacetic acid
SMILESN#Cc1c(F)ccc(C=O)c1C(O)C(=O)O
InChIInChI=1S/C10H6FNO4/c11-7-2-1-5(4-13)8(6(7)3-12)9(14)10(15)16/h1-2,4,9,14H,(H,15,16)
InChIKeyAZEIMVZPQHGPGY-UHFFFAOYSA-N
XLogP0.63
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.16
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-cyano-6-(difluoromethoxy)-3-formylphenyl]-2-hydroxyacetic acid
CID 171014777
2-[3-cyano-2-(difluoromethoxy)-6-formylphenyl]-2-hydroxyacetic acid
CID 171014865
2-acetyl-6-fluoro-3-formylbenzonitrile
CID 171017089
2-(6-cyano-2,3-difluorophenyl)-2-hydroxyacetic acid
CID 131601802
2-[2-cyano-3-(difluoromethoxy)-4-formylphenyl]-2-hydroxyacetic acid
CID 171014650
2-(2-cyano-3-formyl-5-methylphenyl)-2-hydroxyacetic acid
CID 171017521
2-fluoro-3,6-diformylbenzonitrile
CID 171011652
2-(difluoromethoxy)-3-fluoro-6-formylbenzonitrile
CID 131291335
ethyl 2-(2-cyano-6-fluoro-3-formylphenyl)acetate
CID 134654383
2-[4-cyano-3-(difluoromethoxy)-5-formylphenyl]-2-hydroxyacetic acid
CID 171030881
(2S)-2-(2-chloro-3,6-difluorophenyl)-2-hydroxyacetic acid
CID 131460711
formyl fluoride;2,3,6-trifluorobenzonitrile
CID 174393196

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-3-fluoro-6-formylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2-cyano-3-fluoro-6-formylphenyl)-2-hydroxyacetic acid (CID 171017192) is 2-(2-cyano-3-fluoro-6-formylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-cyano-3-fluoro-6-formylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-cyano-3-fluoro-6-formylphenyl)-2-hydroxyacetic acid is N#Cc1c(F)ccc(C=O)c1C(O)C(=O)O.
What is the InChIKey of 2-(2-cyano-3-fluoro-6-formylphenyl)-2-hydroxyacetic acid?
The InChIKey is AZEIMVZPQHGPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO4/c11-7-2-1-5(4-13)8(6(7)3-12)9(14)10(15)16/h1-2,4,9,14H,(H,15,16).
What are the key properties of 2-(2-cyano-3-fluoro-6-formylphenyl)-2-hydroxyacetic acid?
2-(2-cyano-3-fluoro-6-formylphenyl)-2-hydroxyacetic acid has a molecular weight of 223.16 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-3-fluoro-6-formylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 171017192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).