4-chloro-5-hydroxy-2-phenylpyridazin-3-one

C10H7ClN2O2 — CID 54695799

IUPAC4-chloro-5-hydroxy-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(O)cnn1-c1ccccc1
InChIInChI=1S/C10H7ClN2O2/c11-9-8(14)6-12-13(10(9)15)7-4-2-1-3-5-7/h1-6,14H
InChIKeyHYZCDNSVEFVQSZ-UHFFFAOYSA-N
MW222.63 g/mol
LogP1.59
Rot. Bonds1

About 4-chloro-5-hydroxy-2-phenylpyridazin-3-one

4-chloro-5-hydroxy-2-phenylpyridazin-3-one (PubChem CID 54695799) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 4-chloro-5-hydroxy-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-hydroxy-2-phenylpyridazin-3-one
PubChem CID54695799
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name4-chloro-5-hydroxy-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(O)cnn1-c1ccccc1
InChIInChI=1S/C10H7ClN2O2/c11-9-8(14)6-12-13(10(9)15)7-4-2-1-3-5-7/h1-6,14H
InChIKeyHYZCDNSVEFVQSZ-UHFFFAOYSA-N
XLogP1.59
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-hydroxy-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-hydroxy-2-phenylpyridazin-3-one (CID 54695799) is 4-chloro-5-hydroxy-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-hydroxy-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-hydroxy-2-phenylpyridazin-3-one is O=c1c(Cl)c(O)cnn1-c1ccccc1.
What is the InChIKey of 4-chloro-5-hydroxy-2-phenylpyridazin-3-one?
The InChIKey is HYZCDNSVEFVQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-9-8(14)6-12-13(10(9)15)7-4-2-1-3-5-7/h1-6,14H.
What are the key properties of 4-chloro-5-hydroxy-2-phenylpyridazin-3-one?
4-chloro-5-hydroxy-2-phenylpyridazin-3-one has a molecular weight of 222.63 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-hydroxy-2-phenylpyridazin-3-one is sourced from PubChem (CID 54695799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).