2-(diethylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid

C11H13F3N2O2 — CID 165493427

IUPAC2-(diethylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESCCN(CC)c1cc(C(=O)O)cc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N2O2/c1-3-16(4-2)9-6-7(10(17)18)5-8(15-9)11(12,13)14/h5-6H,3-4H2,1-2H3,(H,17,18)
InChIKeyLMOPUWRAVPCUJU-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.64
Rot. Bonds4

About 2-(diethylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid

2-(diethylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid (PubChem CID 165493427) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-(diethylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(diethylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid
PubChem CID165493427
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-(diethylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESCCN(CC)c1cc(C(=O)O)cc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N2O2/c1-3-16(4-2)9-6-7(10(17)18)5-8(15-9)11(12,13)14/h5-6H,3-4H2,1-2H3,(H,17,18)
InChIKeyLMOPUWRAVPCUJU-UHFFFAOYSA-N
XLogP2.64
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-6-ethylpyridine-4-carboxylic acid
CID 58418069
6-(diethylamino)-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 67453556
6-(trifluoromethyl)pyridine-2,4-dicarboxylic acid
CID 130114973
2-ethyl-6-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 113380193
2-[ethyl(2-methylprop-2-enyl)amino]-6-propylpyridine-4-carboxylic acid
CID 113380095
2-(tert-butylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 165493421
N,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475718
2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564255
2-[(2-amino-2-oxoethyl)-methylamino]-6-tert-butylpyridine-4-carboxylic acid
CID 113380129
4-[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide
CID 42826612
3-[ethyl(propyl)amino]-5-fluorobenzoic acid
CID 143171308
1-[ethyl-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 114567378

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(diethylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid (CID 165493427) is 2-(diethylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(diethylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(diethylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid is CCN(CC)c1cc(C(=O)O)cc(C(F)(F)F)n1.
What is the InChIKey of 2-(diethylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is LMOPUWRAVPCUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-3-16(4-2)9-6-7(10(17)18)5-8(15-9)11(12,13)14/h5-6H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 2-(diethylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid?
2-(diethylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid has a molecular weight of 262.23 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 165493427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).