1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid

C16H16ClN3O2 — CID 56770692

IUPAC1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1
InChIInChI=1S/C16H16ClN3O2/c17-13-4-2-1-3-12(13)14-5-6-15(19-18-14)20-9-7-11(8-10-20)16(21)22/h1-6,11H,7-10H2,(H,21,22)
InChIKeyCYFBYVYNOLLVJW-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.10
Rot. Bonds3

About 1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid

1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid (PubChem CID 56770692) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid
PubChem CID56770692
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1
InChIInChI=1S/C16H16ClN3O2/c17-13-4-2-1-3-12(13)14-5-6-15(19-18-14)20-9-7-11(8-10-20)16(21)22/h1-6,11H,7-10H2,(H,21,22)
InChIKeyCYFBYVYNOLLVJW-UHFFFAOYSA-N
XLogP3.10
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-4-yl]acetamide
CID 136568304
1-[6-(2-chlorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 3022107
N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
CID 46001868
1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 116972743
(3R)-1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-amine
CID 95361082
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 30363605
N-(2,3-dichlorophenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071987
N-butyl-N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 46001938
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 121071841
3,4-dichloro-N-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-yl]benzamide
CID 175425958
(4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866604
N-butyl-1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 121071983

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid (CID 56770692) is 1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1.
What is the InChIKey of 1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid?
The InChIKey is CYFBYVYNOLLVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c17-13-4-2-1-3-12(13)14-5-6-15(19-18-14)20-9-7-11(8-10-20)16(21)22/h1-6,11H,7-10H2,(H,21,22).
What are the key properties of 1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid?
1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid has a molecular weight of 317.78 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56770692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).