2,4-dimethyl-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid

C14H11F3N2O2 — CID 66901619

IUPAC2,4-dimethyl-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid
SMILESCc1cc(-c2cncc(C(F)(F)F)c2)nc(C)c1C(=O)O
InChIInChI=1S/C14H11F3N2O2/c1-7-3-11(19-8(2)12(7)13(20)21)9-4-10(6-18-5-9)14(15,16)17/h3-6H,1-2H3,(H,20,21)
InChIKeyJTCXFFMUBISHJW-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.48
Rot. Bonds2

About 2,4-dimethyl-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid

2,4-dimethyl-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid (PubChem CID 66901619) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 2,4-dimethyl-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid
PubChem CID66901619
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name2,4-dimethyl-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid
SMILESCc1cc(-c2cncc(C(F)(F)F)c2)nc(C)c1C(=O)O
InChIInChI=1S/C14H11F3N2O2/c1-7-3-11(19-8(2)12(7)13(20)21)9-4-10(6-18-5-9)14(15,16)17/h3-6H,1-2H3,(H,20,21)
InChIKeyJTCXFFMUBISHJW-UHFFFAOYSA-N
XLogP3.48
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid?
The IUPAC name of 2,4-dimethyl-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid (CID 66901619) is 2,4-dimethyl-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid is Cc1cc(-c2cncc(C(F)(F)F)c2)nc(C)c1C(=O)O.
What is the InChIKey of 2,4-dimethyl-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid?
The InChIKey is JTCXFFMUBISHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-7-3-11(19-8(2)12(7)13(20)21)9-4-10(6-18-5-9)14(15,16)17/h3-6H,1-2H3,(H,20,21).
What are the key properties of 2,4-dimethyl-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid?
2,4-dimethyl-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid has a molecular weight of 296.25 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 66901619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).