4-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid

C10H11F3N2O2 — CID 55009203

IUPAC4-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid
SMILESCCN(CC(F)(F)F)c1ccnc(C(=O)O)c1
InChIInChI=1S/C10H11F3N2O2/c1-2-15(6-10(11,12)13)7-3-4-14-8(5-7)9(16)17/h3-5H,2,6H2,1H3,(H,16,17)
InChIKeyRNYRGFHXWDUJFJ-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.17
Rot. Bonds4

About 4-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid

4-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid (PubChem CID 55009203) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 4-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid
PubChem CID55009203
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name4-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid
SMILESCCN(CC(F)(F)F)c1ccnc(C(=O)O)c1
InChIInChI=1S/C10H11F3N2O2/c1-2-15(6-10(11,12)13)7-3-4-14-8(5-7)9(16)17/h3-5H,2,6H2,1H3,(H,16,17)
InChIKeyRNYRGFHXWDUJFJ-UHFFFAOYSA-N
XLogP2.17
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxylic acid
CID 107553694
4-[ethyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylic acid
CID 61449371
methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboxylate
CID 79390088
4-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid
CID 54948033
2-chloro-4-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid
CID 62946083
[4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203679
4-[butyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-2-carboxylic acid
CID 119181552
4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboximidamide
CID 79386836
1-[ethyl-[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylpropan-2-ol
CID 79390496
N'-hydroxy-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboximidamide
CID 135965054
4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylic acid
CID 2052732
2-[4-(diethylamino)-2-pyridinyl]acetic acid
CID 83883816

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid (CID 55009203) is 4-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid is CCN(CC(F)(F)F)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid?
The InChIKey is RNYRGFHXWDUJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-2-15(6-10(11,12)13)7-3-4-14-8(5-7)9(16)17/h3-5H,2,6H2,1H3,(H,16,17).
What are the key properties of 4-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid?
4-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid has a molecular weight of 248.20 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 55009203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).