3-(2-fluoro-5-formylphenyl)-2,3-dihydroxypropanoic acid

C10H9FO5 — CID 170823875

IUPAC3-(2-fluoro-5-formylphenyl)-2,3-dihydroxypropanoic acid
SMILESO=Cc1ccc(F)c(C(O)C(O)C(=O)O)c1
InChIInChI=1S/C10H9FO5/c11-7-2-1-5(4-12)3-6(7)8(13)9(14)10(15)16/h1-4,8-9,13-14H,(H,15,16)
InChIKeyNCPLJKDDRBTNGT-UHFFFAOYSA-N
MW228.18 g/mol
LogP0.12
Rot. Bonds4

About 3-(2-fluoro-5-formylphenyl)-2,3-dihydroxypropanoic acid

3-(2-fluoro-5-formylphenyl)-2,3-dihydroxypropanoic acid (PubChem CID 170823875) has the molecular formula C10H9FO5 and a molecular weight of 228.18 g/mol. Its IUPAC name is 3-(2-fluoro-5-formylphenyl)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-(2-fluoro-5-formylphenyl)-2,3-dihydroxypropanoic acid
PubChem CID170823875
Molecular FormulaC10H9FO5
Molecular Weight228.18 g/mol
Exact Mass228.04
IUPAC Name3-(2-fluoro-5-formylphenyl)-2,3-dihydroxypropanoic acid
SMILESO=Cc1ccc(F)c(C(O)C(O)C(=O)O)c1
InChIInChI=1S/C10H9FO5/c11-7-2-1-5(4-12)3-6(7)8(13)9(14)10(15)16/h1-4,8-9,13-14H,(H,15,16)
InChIKeyNCPLJKDDRBTNGT-UHFFFAOYSA-N
XLogP0.12
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-1,2-dihydroxypropyl)-4-fluorobenzaldehyde
CID 170827947
3-(1,2-dihydroxy-4-sulfanylbutyl)-4-fluorobenzaldehyde
CID 171874000
3-(5-formyl-2-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823749
benzaldehyde;2,3-dihydroxybutanedioic acid
CID 159567937
3-(2-fluoro-4-methoxycarbonylphenyl)-2,3-dihydroxypropanoic acid
CID 170824508
3-(4-amino-2-fluoro-5-methylphenyl)-2,3-dihydroxypropanoic acid
CID 170823988
2-(difluoromethyl)-4-formylbenzoic acid
CID 22101435
3-[2-(aminomethyl)-4-fluorophenyl]-2,3-dihydroxypropanoic acid
CID 170823976
3,4-difluorobenzaldehyde;(E)-3-(3,4-difluorophenyl)prop-2-enoic acid
CID 163846327
3-(2-bromo-5-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170825035
3-(2-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823546
2-(2-carboxy-1,2-dihydroxyethyl)-6-fluorobenzoic acid
CID 170824233

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-formylphenyl)-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-(2-fluoro-5-formylphenyl)-2,3-dihydroxypropanoic acid (CID 170823875) is 3-(2-fluoro-5-formylphenyl)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-(2-fluoro-5-formylphenyl)-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-(2-fluoro-5-formylphenyl)-2,3-dihydroxypropanoic acid is O=Cc1ccc(F)c(C(O)C(O)C(=O)O)c1.
What is the InChIKey of 3-(2-fluoro-5-formylphenyl)-2,3-dihydroxypropanoic acid?
The InChIKey is NCPLJKDDRBTNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO5/c11-7-2-1-5(4-12)3-6(7)8(13)9(14)10(15)16/h1-4,8-9,13-14H,(H,15,16).
What are the key properties of 3-(2-fluoro-5-formylphenyl)-2,3-dihydroxypropanoic acid?
3-(2-fluoro-5-formylphenyl)-2,3-dihydroxypropanoic acid has a molecular weight of 228.18 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-formylphenyl)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 170823875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).