1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid

C14H15F3N2O3 — CID 119137791

IUPAC1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C14H15F3N2O3/c1-8-9(5-6-11(18-8)14(15,16)17)12(20)19-7-3-2-4-10(19)13(21)22/h5-6,10H,2-4,7H2,1H3,(H,21,22)
InChIKeySYGUXRSYJIFEJY-UHFFFAOYSA-N
MW316.28 g/mol
LogP2.49
Rot. Bonds2

About 1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid

1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid (PubChem CID 119137791) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
PubChem CID119137791
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC Name1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C14H15F3N2O3/c1-8-9(5-6-11(18-8)14(15,16)17)12(20)19-7-3-2-4-10(19)13(21)22/h5-6,10H,2-4,7H2,1H3,(H,21,22)
InChIKeySYGUXRSYJIFEJY-UHFFFAOYSA-N
XLogP2.49
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]morpholine-3-carboxylic acid
CID 125133041
[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 95294843
[2-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 138992170
(3R)-2-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 124693385
1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 102553983
(2R)-1-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 120537434
3-amino-N-[[1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578476
(3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 134005087
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
(2-methylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 119469998
1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid
CID 62514425
(3S,4S)-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951143

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid (CID 119137791) is 1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid is Cc1nc(C(F)(F)F)ccc1C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is SYGUXRSYJIFEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c1-8-9(5-6-11(18-8)14(15,16)17)12(20)19-7-3-2-4-10(19)13(21)22/h5-6,10H,2-4,7H2,1H3,(H,21,22).
What are the key properties of 1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid?
1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 316.28 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119137791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).