3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine

C14H9Cl3N4O — CID 87882017

IUPAC3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine
SMILESClc1ccc(Cl)nn1.Clc1ccc(Oc2ccccc2)nn1
InChIInChI=1S/C10H7ClN2O.C4H2Cl2N2/c11-9-6-7-10(13-12-9)14-8-4-2-1-3-5-8;5-3-1-2-4(6)8-7-3/h1-7H;1-2H
InChIKeyGOTDWLAVOFYOCV-UHFFFAOYSA-N
MW355.61 g/mol
LogP4.71
Rot. Bonds2

About 3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine

3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine (PubChem CID 87882017) has the molecular formula C14H9Cl3N4O and a molecular weight of 355.61 g/mol. Its IUPAC name is 3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine.

Molecular Properties

Compound Name3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine
PubChem CID87882017
Molecular FormulaC14H9Cl3N4O
Molecular Weight355.61 g/mol
Exact Mass353.98
IUPAC Name3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine
SMILESClc1ccc(Cl)nn1.Clc1ccc(Oc2ccccc2)nn1
InChIInChI=1S/C10H7ClN2O.C4H2Cl2N2/c11-9-6-7-10(13-12-9)14-8-4-2-1-3-5-8;5-3-1-2-4(6)8-7-3/h1-7H;1-2H
InChIKeyGOTDWLAVOFYOCV-UHFFFAOYSA-N
XLogP4.71
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.61
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-(3-methoxyphenoxy)pyridazine
CID 13321729
1-[[4-(6-chloropyridazin-3-yl)oxyphenyl]methyl]-2-phenylhydrazine
CID 169386146
1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-phenylprop-2-en-1-one
CID 175426617
3-(6-chloropyridazin-3-yl)oxybenzaldehyde
CID 50878106
3-chloro-6-(3-methylsulfonylphenoxy)pyridazine
CID 54915361
3-chloro-6-(4-propoxyphenoxy)pyridazine
CID 60674904
3-chloro-6-[4-(2,2-dichloroethenyl)phenoxy]pyridazine
CID 134116481
3-chloro-6-(3-nitrophenoxy)pyridazine
CID 6400989
2-(6-chloropyridazin-3-yl)oxybenzoic acid
CID 61395460
(6-phenoxypyridazin-3-yl)methanamine
CID 62296458
3-chloro-6-naphthalen-1-yloxypyridazine
CID 54915223
3-chloro-6-(2-propan-2-ylphenoxy)pyridazine
CID 54915404

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine?
The IUPAC name of 3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine (CID 87882017) is 3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine.
What is the SMILES notation for 3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine?
The canonical SMILES for 3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine is Clc1ccc(Cl)nn1.Clc1ccc(Oc2ccccc2)nn1.
What is the InChIKey of 3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine?
The InChIKey is GOTDWLAVOFYOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O.C4H2Cl2N2/c11-9-6-7-10(13-12-9)14-8-4-2-1-3-5-8;5-3-1-2-4(6)8-7-3/h1-7H;1-2H.
What are the key properties of 3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine?
3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine has a molecular weight of 355.61 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine is sourced from PubChem (CID 87882017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).