2-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridine-4-carboxylic acid

C13H13F3N2O3 — CID 122055905

IUPAC2-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)N2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C13H13F3N2O3/c14-13(15,16)9-2-5-18(6-3-9)11(19)10-7-8(12(20)21)1-4-17-10/h1,4,7,9H,2-3,5-6H2,(H,20,21)
InChIKeyRASXXCLOVZJUAJ-UHFFFAOYSA-N
MW302.25 g/mol
LogP2.19
Rot. Bonds2

About 2-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridine-4-carboxylic acid

2-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridine-4-carboxylic acid (PubChem CID 122055905) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridine-4-carboxylic acid
PubChem CID122055905
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC Name2-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)N2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C13H13F3N2O3/c14-13(15,16)9-2-5-18(6-3-9)11(19)10-7-8(12(20)21)1-4-17-10/h1,4,7,9H,2-3,5-6H2,(H,20,21)
InChIKeyRASXXCLOVZJUAJ-UHFFFAOYSA-N
XLogP2.19
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055710
2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055947
2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122055245
2-(3,3,4-trimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122056218
(6-bromo-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 66462579
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055264
2-(3-benzylpyrrolidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122055218
(3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 104742473
[2-(oxan-4-ylmethoxy)-4-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 121017408
2-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055956
2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122056069

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridine-4-carboxylic acid (CID 122055905) is 2-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(C(=O)N2CCC(C(F)(F)F)CC2)c1.
What is the InChIKey of 2-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridine-4-carboxylic acid?
The InChIKey is RASXXCLOVZJUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3/c14-13(15,16)9-2-5-18(6-3-9)11(19)10-7-8(12(20)21)1-4-17-10/h1,4,7,9H,2-3,5-6H2,(H,20,21).
What are the key properties of 2-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridine-4-carboxylic acid?
2-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridine-4-carboxylic acid has a molecular weight of 302.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122055905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).