3-(5-chloro-2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid

C8H7ClFNO4 — CID 170825058

IUPAC3-(5-chloro-2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1cc(F)ncc1Cl
InChIInChI=1S/C8H7ClFNO4/c9-4-2-11-5(10)1-3(4)6(12)7(13)8(14)15/h1-2,6-7,12-13H,(H,14,15)
InChIKeyFJMBHTXJQNVQJN-UHFFFAOYSA-N
MW235.60 g/mol
LogP0.35
Rot. Bonds3

About 3-(5-chloro-2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid

3-(5-chloro-2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid (PubChem CID 170825058) has the molecular formula C8H7ClFNO4 and a molecular weight of 235.60 g/mol. Its IUPAC name is 3-(5-chloro-2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-(5-chloro-2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid
PubChem CID170825058
Molecular FormulaC8H7ClFNO4
Molecular Weight235.60 g/mol
Exact Mass235.00
IUPAC Name3-(5-chloro-2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1cc(F)ncc1Cl
InChIInChI=1S/C8H7ClFNO4/c9-4-2-11-5(10)1-3(4)6(12)7(13)8(14)15/h1-2,6-7,12-13H,(H,14,15)
InChIKeyFJMBHTXJQNVQJN-UHFFFAOYSA-N
XLogP0.35
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.60
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-(5-chloro-2-fluoro-4-pyridinyl)propane-1,2-diol
CID 170829115
3-(2,5-dichloro-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823721
3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823466
3-(2,4-dichloropyrimidin-5-yl)-2,3-dihydroxypropanoic acid
CID 170823653
3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823685
benzyl N-[4-(5-chloro-2-fluoro-4-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171889528
3-(2-chloro-5-methoxycarbonyl-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170824623
4-(2-carboxy-1,2-dihydroxyethyl)-3-chlorobenzoic acid
CID 170824222
3-(2-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823546
3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823452
3-(4-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823555
3-(3,4-dichloro-5-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823794

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-(5-chloro-2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid (CID 170825058) is 3-(5-chloro-2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-(5-chloro-2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-(5-chloro-2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid is O=C(O)C(O)C(O)c1cc(F)ncc1Cl.
What is the InChIKey of 3-(5-chloro-2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid?
The InChIKey is FJMBHTXJQNVQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO4/c9-4-2-11-5(10)1-3(4)6(12)7(13)8(14)15/h1-2,6-7,12-13H,(H,14,15).
What are the key properties of 3-(5-chloro-2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid?
3-(5-chloro-2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid has a molecular weight of 235.60 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 170825058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).