3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoic acid

C7H7ClN2O4 — CID 170825008

IUPAC3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1ccc(Cl)nn1
InChIInChI=1S/C7H7ClN2O4/c8-4-2-1-3(9-10-4)5(11)6(12)7(13)14/h1-2,5-6,11-12H,(H,13,14)
InChIKeyFNINAOUZLVNAQV-UHFFFAOYSA-N
MW218.60 g/mol
LogP-0.39
Rot. Bonds3

About 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoic acid

3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoic acid (PubChem CID 170825008) has the molecular formula C7H7ClN2O4 and a molecular weight of 218.60 g/mol. Its IUPAC name is 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoic acid
PubChem CID170825008
Molecular FormulaC7H7ClN2O4
Molecular Weight218.60 g/mol
Exact Mass218.01
IUPAC Name3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1ccc(Cl)nn1
InChIInChI=1S/C7H7ClN2O4/c8-4-2-1-3(9-10-4)5(11)6(12)7(13)14/h1-2,5-6,11-12H,(H,13,14)
InChIKeyFNINAOUZLVNAQV-UHFFFAOYSA-N
XLogP-0.39
TPSA103.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.60
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoic acid (CID 170825008) is 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoic acid is O=C(O)C(O)C(O)c1ccc(Cl)nn1.
What is the InChIKey of 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoic acid?
The InChIKey is FNINAOUZLVNAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O4/c8-4-2-1-3(9-10-4)5(11)6(12)7(13)14/h1-2,5-6,11-12H,(H,13,14).
What are the key properties of 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoic acid?
3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoic acid has a molecular weight of 218.60 g/mol, XLogP of -0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 170825008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).