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

C11H13F3N2O2 — CID 67453556

IUPAC6-(diethylamino)-4-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCCN(CC)c1cc(C(F)(F)F)cc(C(=O)O)n1
InChIInChI=1S/C11H13F3N2O2/c1-3-16(4-2)9-6-7(11(12,13)14)5-8(15-9)10(17)18/h5-6H,3-4H2,1-2H3,(H,17,18)
InChIKeyMLUATVMSGVQYEA-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.64
Rot. Bonds4

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

6-(diethylamino)-4-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 67453556) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 6-(diethylamino)-4-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(diethylamino)-4-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID67453556
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name6-(diethylamino)-4-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCCN(CC)c1cc(C(F)(F)F)cc(C(=O)O)n1
InChIInChI=1S/C11H13F3N2O2/c1-3-16(4-2)9-6-7(11(12,13)14)5-8(15-9)10(17)18/h5-6H,3-4H2,1-2H3,(H,17,18)
InChIKeyMLUATVMSGVQYEA-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-(trifluoromethyl)pyridine-4-carboxylic acid
CID 165493427
6-[6-carboxy-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 102113105
2-[ethyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide
CID 102717832
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide
CID 102715690
2-(diethylamino)-6-ethylpyridine-4-carboxylic acid
CID 58418069
6-N-ethyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718090
N-benzyl-6-chloro-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715332
6-(diethylamino)-2-(phenoxymethyl)pyrimidine-4-carboxylic acid
CID 82170225
6-N-ethyl-6-N-(2-methoxyethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717821
ethyl 6-bromo-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133097887
2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxylic acid
CID 107553694
6-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyrazine-2-carboxylic acid
CID 66456063

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(diethylamino)-4-(trifluoromethyl)pyridine-2-carboxylic acid (CID 67453556) is 6-(diethylamino)-4-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(diethylamino)-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(diethylamino)-4-(trifluoromethyl)pyridine-2-carboxylic acid is CCN(CC)c1cc(C(F)(F)F)cc(C(=O)O)n1.
What is the InChIKey of 6-(diethylamino)-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is MLUATVMSGVQYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-3-16(4-2)9-6-7(11(12,13)14)5-8(15-9)10(17)18/h5-6H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 6-(diethylamino)-4-(trifluoromethyl)pyridine-2-carboxylic acid?
6-(diethylamino)-4-(trifluoromethyl)pyridine-2-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 6-(diethylamino)-4-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 67453556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).