4-cyano-1-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid

C14H11F3N4O2 — CID 175699419

IUPAC4-cyano-1-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid
SMILESN#Cc1ncc(N2CCC(C#N)(C(=O)O)CC2)cc1C(F)(F)F
InChIInChI=1S/C14H11F3N4O2/c15-14(16,17)10-5-9(7-20-11(10)6-18)21-3-1-13(8-19,2-4-21)12(22)23/h5,7H,1-4H2,(H,22,23)
InChIKeyVLHOHBMGZVNXOX-UHFFFAOYSA-N
MW324.26 g/mol
LogP2.17
Rot. Bonds2

About 4-cyano-1-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid

4-cyano-1-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 175699419) has the molecular formula C14H11F3N4O2 and a molecular weight of 324.26 g/mol. Its IUPAC name is 4-cyano-1-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-cyano-1-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid
PubChem CID175699419
Molecular FormulaC14H11F3N4O2
Molecular Weight324.26 g/mol
Exact Mass324.08
IUPAC Name4-cyano-1-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid
SMILESN#Cc1ncc(N2CCC(C#N)(C(=O)O)CC2)cc1C(F)(F)F
InChIInChI=1S/C14H11F3N4O2/c15-14(16,17)10-5-9(7-20-11(10)6-18)21-3-1-13(8-19,2-4-21)12(22)23/h5,7H,1-4H2,(H,22,23)
InChIKeyVLHOHBMGZVNXOX-UHFFFAOYSA-N
XLogP2.17
TPSA101.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-1-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-cyano-1-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid (CID 175699419) is 4-cyano-1-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-cyano-1-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-cyano-1-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid is N#Cc1ncc(N2CCC(C#N)(C(=O)O)CC2)cc1C(F)(F)F.
What is the InChIKey of 4-cyano-1-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is VLHOHBMGZVNXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O2/c15-14(16,17)10-5-9(7-20-11(10)6-18)21-3-1-13(8-19,2-4-21)12(22)23/h5,7H,1-4H2,(H,22,23).
What are the key properties of 4-cyano-1-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid?
4-cyano-1-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 324.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-1-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 175699419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).