1-[6-(3,5-difluorophenyl)pyridazin-3-yl]piperidine-3-carboxylic acid

C16H15F2N3O2 — CID 56770353

IUPAC1-[6-(3,5-difluorophenyl)pyridazin-3-yl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2ccc(-c3cc(F)cc(F)c3)nn2)C1
InChIInChI=1S/C16H15F2N3O2/c17-12-6-11(7-13(18)8-12)14-3-4-15(20-19-14)21-5-1-2-10(9-21)16(22)23/h3-4,6-8,10H,1-2,5,9H2,(H,22,23)
InChIKeyVNKACALEEUZJEI-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.72
Rot. Bonds3

About 1-[6-(3,5-difluorophenyl)pyridazin-3-yl]piperidine-3-carboxylic acid

1-[6-(3,5-difluorophenyl)pyridazin-3-yl]piperidine-3-carboxylic acid (PubChem CID 56770353) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is 1-[6-(3,5-difluorophenyl)pyridazin-3-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[6-(3,5-difluorophenyl)pyridazin-3-yl]piperidine-3-carboxylic acid
PubChem CID56770353
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name1-[6-(3,5-difluorophenyl)pyridazin-3-yl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2ccc(-c3cc(F)cc(F)c3)nn2)C1
InChIInChI=1S/C16H15F2N3O2/c17-12-6-11(7-13(18)8-12)14-3-4-15(20-19-14)21-5-1-2-10(9-21)16(22)23/h3-4,6-8,10H,1-2,5,9H2,(H,22,23)
InChIKeyVNKACALEEUZJEI-UHFFFAOYSA-N
XLogP2.72
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 116972743
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 53004866
(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 30353337
[(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93055749
N-(2,4-difluorophenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070816
(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 30353811
(3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351026
[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163351464
(4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone
CID 53025387
N-(4-bromo-3-methylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071302
N-(2,4-difluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070992
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121070942

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-difluorophenyl)pyridazin-3-yl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[6-(3,5-difluorophenyl)pyridazin-3-yl]piperidine-3-carboxylic acid (CID 56770353) is 1-[6-(3,5-difluorophenyl)pyridazin-3-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[6-(3,5-difluorophenyl)pyridazin-3-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[6-(3,5-difluorophenyl)pyridazin-3-yl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2ccc(-c3cc(F)cc(F)c3)nn2)C1.
What is the InChIKey of 1-[6-(3,5-difluorophenyl)pyridazin-3-yl]piperidine-3-carboxylic acid?
The InChIKey is VNKACALEEUZJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c17-12-6-11(7-13(18)8-12)14-3-4-15(20-19-14)21-5-1-2-10(9-21)16(22)23/h3-4,6-8,10H,1-2,5,9H2,(H,22,23).
What are the key properties of 1-[6-(3,5-difluorophenyl)pyridazin-3-yl]piperidine-3-carboxylic acid?
1-[6-(3,5-difluorophenyl)pyridazin-3-yl]piperidine-3-carboxylic acid has a molecular weight of 319.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-difluorophenyl)pyridazin-3-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 56770353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).