3-chloro-4-(6-chloropyridazin-3-yl)oxyaniline

C10H7Cl2N3O — CID 130155682

IUPAC3-chloro-4-(6-chloropyridazin-3-yl)oxyaniline
SMILESNc1ccc(Oc2ccc(Cl)nn2)c(Cl)c1
InChIInChI=1S/C10H7Cl2N3O/c11-7-5-6(13)1-2-8(7)16-10-4-3-9(12)14-15-10/h1-5H,13H2
InChIKeyCKDZTPGNNTWOIU-UHFFFAOYSA-N
MW256.09 g/mol
LogP3.16
Rot. Bonds2

About 3-chloro-4-(6-chloropyridazin-3-yl)oxyaniline

3-chloro-4-(6-chloropyridazin-3-yl)oxyaniline (PubChem CID 130155682) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is 3-chloro-4-(6-chloropyridazin-3-yl)oxyaniline.

Molecular Properties

Compound Name3-chloro-4-(6-chloropyridazin-3-yl)oxyaniline
PubChem CID130155682
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC Name3-chloro-4-(6-chloropyridazin-3-yl)oxyaniline
SMILESNc1ccc(Oc2ccc(Cl)nn2)c(Cl)c1
InChIInChI=1S/C10H7Cl2N3O/c11-7-5-6(13)1-2-8(7)16-10-4-3-9(12)14-15-10/h1-5H,13H2
InChIKeyCKDZTPGNNTWOIU-UHFFFAOYSA-N
XLogP3.16
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-[(6-chloro-2-pyridinyl)oxy]aniline
CID 21391500
3-chloro-4-[(5-methyl-2-pyridinyl)oxy]aniline
CID 43173727
3-chloro-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)aniline
CID 78984539
4-(2-aminophenoxy)-3-chloroaniline
CID 66486738
3-chloro-6-(2,5-dimethylphenoxy)pyridazine
CID 60675027
3,4-dichloroaniline
CID 7257
3-chloro-4-[(6-ethoxy-2-pyridinyl)oxy]aniline
CID 63589176
3-chloro-6-(2,5-dibromo-4-methoxyphenoxy)pyridazine
CID 79416501
3-chloro-4-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]aniline
CID 105362891
6-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenoxy]pyridin-3-amine
CID 155134591
ethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate
CID 43364097
3-chloro-4-pyridin-3-yloxyaniline;dihydrochloride
CID 45075256

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(6-chloropyridazin-3-yl)oxyaniline?
The IUPAC name of 3-chloro-4-(6-chloropyridazin-3-yl)oxyaniline (CID 130155682) is 3-chloro-4-(6-chloropyridazin-3-yl)oxyaniline.
What is the SMILES notation for 3-chloro-4-(6-chloropyridazin-3-yl)oxyaniline?
The canonical SMILES for 3-chloro-4-(6-chloropyridazin-3-yl)oxyaniline is Nc1ccc(Oc2ccc(Cl)nn2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(6-chloropyridazin-3-yl)oxyaniline?
The InChIKey is CKDZTPGNNTWOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c11-7-5-6(13)1-2-8(7)16-10-4-3-9(12)14-15-10/h1-5H,13H2.
What are the key properties of 3-chloro-4-(6-chloropyridazin-3-yl)oxyaniline?
3-chloro-4-(6-chloropyridazin-3-yl)oxyaniline has a molecular weight of 256.09 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(6-chloropyridazin-3-yl)oxyaniline is sourced from PubChem (CID 130155682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).