1-(6-chloropyridazin-3-yl)propane-1,2,3-triol

C7H9ClN2O3 — CID 170818884

IUPAC1-(6-chloropyridazin-3-yl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1ccc(Cl)nn1
InChIInChI=1S/C7H9ClN2O3/c8-6-2-1-4(9-10-6)7(13)5(12)3-11/h1-2,5,7,11-13H,3H2
InChIKeyIGTBBZSQLPXNOJ-UHFFFAOYSA-N
MW204.61 g/mol
LogP-0.48
Rot. Bonds3

About 1-(6-chloropyridazin-3-yl)propane-1,2,3-triol

1-(6-chloropyridazin-3-yl)propane-1,2,3-triol (PubChem CID 170818884) has the molecular formula C7H9ClN2O3 and a molecular weight of 204.61 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)propane-1,2,3-triol
PubChem CID170818884
Molecular FormulaC7H9ClN2O3
Molecular Weight204.61 g/mol
Exact Mass204.03
IUPAC Name1-(6-chloropyridazin-3-yl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1ccc(Cl)nn1
InChIInChI=1S/C7H9ClN2O3/c8-6-2-1-4(9-10-6)7(13)5(12)3-11/h1-2,5,7,11-13H,3H2
InChIKeyIGTBBZSQLPXNOJ-UHFFFAOYSA-N
XLogP-0.48
TPSA86.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.61
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)propane-1,2,3-triol?
The IUPAC name of 1-(6-chloropyridazin-3-yl)propane-1,2,3-triol (CID 170818884) is 1-(6-chloropyridazin-3-yl)propane-1,2,3-triol.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)propane-1,2,3-triol?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)propane-1,2,3-triol is OCC(O)C(O)c1ccc(Cl)nn1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)propane-1,2,3-triol?
The InChIKey is IGTBBZSQLPXNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O3/c8-6-2-1-4(9-10-6)7(13)5(12)3-11/h1-2,5,7,11-13H,3H2.
What are the key properties of 1-(6-chloropyridazin-3-yl)propane-1,2,3-triol?
1-(6-chloropyridazin-3-yl)propane-1,2,3-triol has a molecular weight of 204.61 g/mol, XLogP of -0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)propane-1,2,3-triol is sourced from PubChem (CID 170818884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).