3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide

C13H11Cl2N3O2 — CID 61221964

IUPAC3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)c1cc(Cl)nnc1Cl
InChIInChI=1S/C13H11Cl2N3O2/c14-11-7-10(12(15)18-17-11)13(20)16-9-3-1-8(2-4-9)5-6-19/h1-4,7,19H,5-6H2,(H,16,20)
InChIKeyJXOLVHKGHSPRJR-UHFFFAOYSA-N
MW312.16 g/mol
LogP2.57
Rot. Bonds4

About 3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide

3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide (PubChem CID 61221964) has the molecular formula C13H11Cl2N3O2 and a molecular weight of 312.16 g/mol. Its IUPAC name is 3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide
PubChem CID61221964
Molecular FormulaC13H11Cl2N3O2
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)c1cc(Cl)nnc1Cl
InChIInChI=1S/C13H11Cl2N3O2/c14-11-7-10(12(15)18-17-11)13(20)16-9-3-1-8(2-4-9)5-6-19/h1-4,7,19H,5-6H2,(H,16,20)
InChIKeyJXOLVHKGHSPRJR-UHFFFAOYSA-N
XLogP2.57
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-3,6-dichloropyridazine-4-carboxamide
CID 13456211
6-chloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-3-carboxamide
CID 61237341
3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide
CID 13456224
5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2-iodobenzamide
CID 103771882
3,6-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)pyridazine-4-carboxamide
CID 136812221
6-amino-N-[4-(2-hydroxyethyl)phenyl]pyridazine-3-carboxamide
CID 55041891
5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 51985204
N-(4-bromo-3-fluorophenyl)-3,6-dichloropyridazine-4-carboxamide
CID 114038522
2-chloro-6-hydrazinyl-N-[4-(2-hydroxyethyl)phenyl]pyridine-4-carboxamide
CID 62236979
3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide
CID 13456213
3,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-4-carboxamide
CID 103609811
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 61221414

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide (CID 61221964) is 3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide is O=C(Nc1ccc(CCO)cc1)c1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide?
The InChIKey is JXOLVHKGHSPRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2/c14-11-7-10(12(15)18-17-11)13(20)16-9-3-1-8(2-4-9)5-6-19/h1-4,7,19H,5-6H2,(H,16,20).
What are the key properties of 3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide?
3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide has a molecular weight of 312.16 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 61221964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).