5,5-difluoro-1-[6-(4-fluorophenyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid

C18H15F3N2O3 — CID 167743691

IUPAC5,5-difluoro-1-[6-(4-fluorophenyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cccc(-c3ccc(F)cc3)n2)CC(F)(F)C1
InChIInChI=1S/C18H15F3N2O3/c19-13-6-4-11(5-7-13)14-2-1-3-15(22-14)16(24)23-9-12(17(25)26)8-18(20,21)10-23/h1-7,12H,8-10H2,(H,25,26)
InChIKeyWSLPZAMWQNMIQF-UHFFFAOYSA-N
MW364.32 g/mol
LogP3.07
Rot. Bonds3

About 5,5-difluoro-1-[6-(4-fluorophenyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid

5,5-difluoro-1-[6-(4-fluorophenyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid (PubChem CID 167743691) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is 5,5-difluoro-1-[6-(4-fluorophenyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5,5-difluoro-1-[6-(4-fluorophenyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid
PubChem CID167743691
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC Name5,5-difluoro-1-[6-(4-fluorophenyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cccc(-c3ccc(F)cc3)n2)CC(F)(F)C1
InChIInChI=1S/C18H15F3N2O3/c19-13-6-4-11(5-7-13)14-2-1-3-15(22-14)16(24)23-9-12(17(25)26)8-18(20,21)10-23/h1-7,12H,8-10H2,(H,25,26)
InChIKeyWSLPZAMWQNMIQF-UHFFFAOYSA-N
XLogP3.07
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(4-fluorophenyl)-2-pyridinyl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 153311255
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
[3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
CID 110151388
[6-(4-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211403
[6-(4-tert-butylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211121
N-(3-chlorophenyl)-5,5-difluoro-1-[3-(6-methoxy-2-pyridinyl)benzoyl]piperidine-3-carboxamide
CID 168960228
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone
CID 115498100
1-[1-(4-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355330
(3R)-1-(6-bromopyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 114037544
6-(piperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558285
methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate
CID 66666760
[6-(2,4-difluorophenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211385

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-1-[6-(4-fluorophenyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 5,5-difluoro-1-[6-(4-fluorophenyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid (CID 167743691) is 5,5-difluoro-1-[6-(4-fluorophenyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5,5-difluoro-1-[6-(4-fluorophenyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5,5-difluoro-1-[6-(4-fluorophenyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid is O=C(O)C1CN(C(=O)c2cccc(-c3ccc(F)cc3)n2)CC(F)(F)C1.
What is the InChIKey of 5,5-difluoro-1-[6-(4-fluorophenyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is WSLPZAMWQNMIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c19-13-6-4-11(5-7-13)14-2-1-3-15(22-14)16(24)23-9-12(17(25)26)8-18(20,21)10-23/h1-7,12H,8-10H2,(H,25,26).
What are the key properties of 5,5-difluoro-1-[6-(4-fluorophenyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid?
5,5-difluoro-1-[6-(4-fluorophenyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 364.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-1-[6-(4-fluorophenyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 167743691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).