4-methyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid

C14H14F6N2O2 — CID 169123909

IUPAC4-methyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCc1c(C(F)(F)F)cnc(N2CCC(C(F)(F)F)CC2)c1C(=O)O
InChIInChI=1S/C14H14F6N2O2/c1-7-9(14(18,19)20)6-21-11(10(7)12(23)24)22-4-2-8(3-5-22)13(15,16)17/h6,8H,2-5H2,1H3,(H,23,24)
InChIKeyDWCFTMWISNFPHI-UHFFFAOYSA-N
MW356.27 g/mol
LogP3.89
Rot. Bonds2

About 4-methyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid

4-methyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 169123909) has the molecular formula C14H14F6N2O2 and a molecular weight of 356.27 g/mol. Its IUPAC name is 4-methyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID169123909
Molecular FormulaC14H14F6N2O2
Molecular Weight356.27 g/mol
Exact Mass356.10
IUPAC Name4-methyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCc1c(C(F)(F)F)cnc(N2CCC(C(F)(F)F)CC2)c1C(=O)O
InChIInChI=1S/C14H14F6N2O2/c1-7-9(14(18,19)20)6-21-11(10(7)12(23)24)22-4-2-8(3-5-22)13(15,16)17/h6,8H,2-5H2,1H3,(H,23,24)
InChIKeyDWCFTMWISNFPHI-UHFFFAOYSA-N
XLogP3.89
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid (CID 169123909) is 4-methyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid is Cc1c(C(F)(F)F)cnc(N2CCC(C(F)(F)F)CC2)c1C(=O)O.
What is the InChIKey of 4-methyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is DWCFTMWISNFPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F6N2O2/c1-7-9(14(18,19)20)6-21-11(10(7)12(23)24)22-4-2-8(3-5-22)13(15,16)17/h6,8H,2-5H2,1H3,(H,23,24).
What are the key properties of 4-methyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
4-methyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 356.27 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 169123909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).