3-(2-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid

C9H8ClFO4 — CID 170823546

IUPAC3-(2-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1cccc(F)c1Cl
InChIInChI=1S/C9H8ClFO4/c10-6-4(2-1-3-5(6)11)7(12)8(13)9(14)15/h1-3,7-8,12-13H,(H,14,15)
InChIKeyPTQOKZGAVLQHHU-UHFFFAOYSA-N
MW234.61 g/mol
LogP0.96
Rot. Bonds3

About 3-(2-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid

3-(2-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid (PubChem CID 170823546) has the molecular formula C9H8ClFO4 and a molecular weight of 234.61 g/mol. Its IUPAC name is 3-(2-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-(2-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid
PubChem CID170823546
Molecular FormulaC9H8ClFO4
Molecular Weight234.61 g/mol
Exact Mass234.01
IUPAC Name3-(2-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1cccc(F)c1Cl
InChIInChI=1S/C9H8ClFO4/c10-6-4(2-1-3-5(6)11)7(12)8(13)9(14)15/h1-3,7-8,12-13H,(H,14,15)
InChIKeyPTQOKZGAVLQHHU-UHFFFAOYSA-N
XLogP0.96
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.61
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-carboxy-1,2-dihydroxyethyl)-6-fluorobenzoic acid
CID 170824233
3-(2-chloro-6-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823544
3-(3-fluoro-2-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170823857
2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 119001488
2-(2-bromo-3-chloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 171000572
2-amino-1-(2-chloro-3-fluorophenyl)butan-1-ol
CID 130804035
1-(2-chloro-3-fluorophenyl)prop-2-yn-1-ol
CID 115811194
1-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 83700875
(2S)-2-(2-chloro-3,6-difluorophenyl)-2-hydroxyacetic acid
CID 131460711
1-(2-chloro-3-fluorophenyl)hexan-1-ol
CID 115784419
1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 107954110
2-(aminomethyl)-1-(2-chloro-3-fluorophenyl)-4-methylpentan-1-ol
CID 81460938

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-(2-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid (CID 170823546) is 3-(2-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-(2-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-(2-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid is O=C(O)C(O)C(O)c1cccc(F)c1Cl.
What is the InChIKey of 3-(2-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid?
The InChIKey is PTQOKZGAVLQHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO4/c10-6-4(2-1-3-5(6)11)7(12)8(13)9(14)15/h1-3,7-8,12-13H,(H,14,15).
What are the key properties of 3-(2-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid?
3-(2-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid has a molecular weight of 234.61 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 170823546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).