3-(2-cyano-5-fluorophenyl)-2,3-dihydroxypropanoic acid

C10H8FNO4 — CID 170824004

IUPAC3-(2-cyano-5-fluorophenyl)-2,3-dihydroxypropanoic acid
SMILESN#Cc1ccc(F)cc1C(O)C(O)C(=O)O
InChIInChI=1S/C10H8FNO4/c11-6-2-1-5(4-12)7(3-6)8(13)9(14)10(15)16/h1-3,8-9,13-14H,(H,15,16)
InChIKeyMSVDWLIYIVIOEG-UHFFFAOYSA-N
MW225.18 g/mol
LogP0.18
Rot. Bonds3

About 3-(2-cyano-5-fluorophenyl)-2,3-dihydroxypropanoic acid

3-(2-cyano-5-fluorophenyl)-2,3-dihydroxypropanoic acid (PubChem CID 170824004) has the molecular formula C10H8FNO4 and a molecular weight of 225.18 g/mol. Its IUPAC name is 3-(2-cyano-5-fluorophenyl)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-(2-cyano-5-fluorophenyl)-2,3-dihydroxypropanoic acid
PubChem CID170824004
Molecular FormulaC10H8FNO4
Molecular Weight225.18 g/mol
Exact Mass225.04
IUPAC Name3-(2-cyano-5-fluorophenyl)-2,3-dihydroxypropanoic acid
SMILESN#Cc1ccc(F)cc1C(O)C(O)C(=O)O
InChIInChI=1S/C10H8FNO4/c11-6-2-1-5(4-12)7(3-6)8(13)9(14)10(15)16/h1-3,8-9,13-14H,(H,15,16)
InChIKeyMSVDWLIYIVIOEG-UHFFFAOYSA-N
XLogP0.18
TPSA101.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-cyano-3-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823998
3-(2-bromo-5-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170825035
2-(2-cyano-4-fluorophenyl)propanoic acid
CID 130135521
2-(4-azido-1,2-dihydroxybutyl)-4-fluorobenzonitrile
CID 171879502
3-(3-cyano-2-methylphenyl)-2,3-dihydroxypropanoic acid
CID 170824026
3-(3-chloro-4-cyanophenyl)-2,3-dihydroxypropanoic acid
CID 170823995
3-[2-(aminomethyl)-4-fluorophenyl]-2,3-dihydroxypropanoic acid
CID 170823976
2-[(2-cyano-5-fluorophenyl)methylsulfinyl]propanoic acid
CID 107906923
4-(5-chloro-2-cyanophenyl)-3,4-dihydroxybutanoic acid
CID 171877710
2-(2-cyano-1,2-dihydroxyethyl)-5-fluorobenzonitrile
CID 171870269
2-[(1S)-1,2-diaminoethyl]-4-fluorobenzonitrile
CID 66516228
2-[(1S)-1-amino-3-hydroxypropyl]-4-fluorobenzonitrile
CID 130648474

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyano-5-fluorophenyl)-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-(2-cyano-5-fluorophenyl)-2,3-dihydroxypropanoic acid (CID 170824004) is 3-(2-cyano-5-fluorophenyl)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-(2-cyano-5-fluorophenyl)-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-(2-cyano-5-fluorophenyl)-2,3-dihydroxypropanoic acid is N#Cc1ccc(F)cc1C(O)C(O)C(=O)O.
What is the InChIKey of 3-(2-cyano-5-fluorophenyl)-2,3-dihydroxypropanoic acid?
The InChIKey is MSVDWLIYIVIOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO4/c11-6-2-1-5(4-12)7(3-6)8(13)9(14)10(15)16/h1-3,8-9,13-14H,(H,15,16).
What are the key properties of 3-(2-cyano-5-fluorophenyl)-2,3-dihydroxypropanoic acid?
3-(2-cyano-5-fluorophenyl)-2,3-dihydroxypropanoic acid has a molecular weight of 225.18 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyano-5-fluorophenyl)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 170824004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).