6-[4-(2,5-dichlorophenoxy)piperidin-1-yl]pyridazine-3-carboxylic acid

C16H15Cl2N3O3 — CID 16731863

IUPAC6-[4-(2,5-dichlorophenoxy)piperidin-1-yl]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(Oc3cc(Cl)ccc3Cl)CC2)nn1
InChIInChI=1S/C16H15Cl2N3O3/c17-10-1-2-12(18)14(9-10)24-11-5-7-21(8-6-11)15-4-3-13(16(22)23)19-20-15/h1-4,9,11H,5-8H2,(H,22,23)
InChIKeyXWXJDWBNWFEYPL-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.53
Rot. Bonds4

About 6-[4-(2,5-dichlorophenoxy)piperidin-1-yl]pyridazine-3-carboxylic acid

6-[4-(2,5-dichlorophenoxy)piperidin-1-yl]pyridazine-3-carboxylic acid (PubChem CID 16731863) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is 6-[4-(2,5-dichlorophenoxy)piperidin-1-yl]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(2,5-dichlorophenoxy)piperidin-1-yl]pyridazine-3-carboxylic acid
PubChem CID16731863
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC Name6-[4-(2,5-dichlorophenoxy)piperidin-1-yl]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(Oc3cc(Cl)ccc3Cl)CC2)nn1
InChIInChI=1S/C16H15Cl2N3O3/c17-10-1-2-12(18)14(9-10)24-11-5-7-21(8-6-11)15-4-3-13(16(22)23)19-20-15/h1-4,9,11H,5-8H2,(H,22,23)
InChIKeyXWXJDWBNWFEYPL-UHFFFAOYSA-N
XLogP3.53
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-aminopiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61402767
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid
CID 103534319
4-chloro-2-cyclobutyloxybenzoic acid
CID 63082704
6-[4-(2,5-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 16731528
6-[(3S)-3-(2-chlorophenoxy)piperidin-1-yl]pyridazine-3-carboxamide
CID 99857964
4-chloro-2-cyclohexyloxybenzoic acid
CID 61379499
6-[4-(2-chlorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide
CID 133391003
4-[4-(5-chloro-2-methylphenoxy)piperidin-1-yl]pyrimidine
CID 141407313
3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-pyridin-3-ylpyridazine
CID 16733177
5-chloro-4-[1-(5-chloro-3-pyridinyl)piperidin-4-yl]oxy-2-fluorobenzoic acid
CID 122485893
6-[(3R)-3-(2-chlorophenoxy)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 99857965

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,5-dichlorophenoxy)piperidin-1-yl]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[4-(2,5-dichlorophenoxy)piperidin-1-yl]pyridazine-3-carboxylic acid (CID 16731863) is 6-[4-(2,5-dichlorophenoxy)piperidin-1-yl]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(2,5-dichlorophenoxy)piperidin-1-yl]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[4-(2,5-dichlorophenoxy)piperidin-1-yl]pyridazine-3-carboxylic acid is O=C(O)c1ccc(N2CCC(Oc3cc(Cl)ccc3Cl)CC2)nn1.
What is the InChIKey of 6-[4-(2,5-dichlorophenoxy)piperidin-1-yl]pyridazine-3-carboxylic acid?
The InChIKey is XWXJDWBNWFEYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3/c17-10-1-2-12(18)14(9-10)24-11-5-7-21(8-6-11)15-4-3-13(16(22)23)19-20-15/h1-4,9,11H,5-8H2,(H,22,23).
What are the key properties of 6-[4-(2,5-dichlorophenoxy)piperidin-1-yl]pyridazine-3-carboxylic acid?
6-[4-(2,5-dichlorophenoxy)piperidin-1-yl]pyridazine-3-carboxylic acid has a molecular weight of 368.22 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,5-dichlorophenoxy)piperidin-1-yl]pyridazine-3-carboxylic acid is sourced from PubChem (CID 16731863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).