6-(2-amino-6-chlorophenoxy)pyridazine-3-carboxamide

C11H9ClN4O2 — CID 107717917

IUPAC6-(2-amino-6-chlorophenoxy)pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2c(N)cccc2Cl)nn1
InChIInChI=1S/C11H9ClN4O2/c12-6-2-1-3-7(13)10(6)18-9-5-4-8(11(14)17)15-16-9/h1-5H,13H2,(H2,14,17)
InChIKeyDPCYLHIQUQLLOQ-UHFFFAOYSA-N
MW264.67 g/mol
LogP1.60
Rot. Bonds3

About 6-(2-amino-6-chlorophenoxy)pyridazine-3-carboxamide

6-(2-amino-6-chlorophenoxy)pyridazine-3-carboxamide (PubChem CID 107717917) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is 6-(2-amino-6-chlorophenoxy)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-amino-6-chlorophenoxy)pyridazine-3-carboxamide
PubChem CID107717917
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC Name6-(2-amino-6-chlorophenoxy)pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2c(N)cccc2Cl)nn1
InChIInChI=1S/C11H9ClN4O2/c12-6-2-1-3-7(13)10(6)18-9-5-4-8(11(14)17)15-16-9/h1-5H,13H2,(H2,14,17)
InChIKeyDPCYLHIQUQLLOQ-UHFFFAOYSA-N
XLogP1.60
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline
CID 107717898
6-(3-chloro-2-fluorophenoxy)pyridazine-3-carboxylic acid
CID 116688881
2-[2-(6-carbamoylpyridazin-3-yl)oxyphenyl]acetic acid
CID 80742351
3-chloro-2-(2,6-dimethylpyrimidin-4-yl)oxyaniline
CID 107717861
methyl 2-[2-(2-amino-6-chlorophenoxy)phenyl]acetate
CID 13409482
4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide
CID 107716241
3-amino-2-(3-chloro-2-fluorophenoxy)benzamide
CID 116689745
(2-amino-6-chlorophenyl) prop-2-enoate
CID 135356842
3-chloro-2-(4-iodophenoxy)aniline
CID 43144713
3-chloro-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline
CID 107717858
3-amino-2-[(3,4-dichlorophenyl)methoxy]benzamide
CID 107873411
3-chloro-2-methoxyaniline;hydrochloride
CID 17233805

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-6-chlorophenoxy)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-amino-6-chlorophenoxy)pyridazine-3-carboxamide (CID 107717917) is 6-(2-amino-6-chlorophenoxy)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-amino-6-chlorophenoxy)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-amino-6-chlorophenoxy)pyridazine-3-carboxamide is NC(=O)c1ccc(Oc2c(N)cccc2Cl)nn1.
What is the InChIKey of 6-(2-amino-6-chlorophenoxy)pyridazine-3-carboxamide?
The InChIKey is DPCYLHIQUQLLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c12-6-2-1-3-7(13)10(6)18-9-5-4-8(11(14)17)15-16-9/h1-5H,13H2,(H2,14,17).
What are the key properties of 6-(2-amino-6-chlorophenoxy)pyridazine-3-carboxamide?
6-(2-amino-6-chlorophenoxy)pyridazine-3-carboxamide has a molecular weight of 264.67 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-6-chlorophenoxy)pyridazine-3-carboxamide is sourced from PubChem (CID 107717917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).