3-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid

C10H10ClF3N2O2 — CID 55009157

IUPAC3-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid
SMILESCCN(CC(F)(F)F)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C10H10ClF3N2O2/c1-2-16(5-10(12,13)14)7-4-3-6(11)8(15-7)9(17)18/h3-4H,2,5H2,1H3,(H,17,18)
InChIKeyQNDVXFUFZJSFQO-UHFFFAOYSA-N
MW282.65 g/mol
LogP2.82
Rot. Bonds4

About 3-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid

3-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid (PubChem CID 55009157) has the molecular formula C10H10ClF3N2O2 and a molecular weight of 282.65 g/mol. Its IUPAC name is 3-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid
PubChem CID55009157
Molecular FormulaC10H10ClF3N2O2
Molecular Weight282.65 g/mol
Exact Mass282.04
IUPAC Name3-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid
SMILESCCN(CC(F)(F)F)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C10H10ClF3N2O2/c1-2-16(5-10(12,13)14)7-4-3-6(11)8(15-7)9(17)18/h3-4H,2,5H2,1H3,(H,17,18)
InChIKeyQNDVXFUFZJSFQO-UHFFFAOYSA-N
XLogP2.82
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid (CID 55009157) is 3-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid is CCN(CC(F)(F)F)c1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 3-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid?
The InChIKey is QNDVXFUFZJSFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O2/c1-2-16(5-10(12,13)14)7-4-3-6(11)8(15-7)9(17)18/h3-4H,2,5H2,1H3,(H,17,18).
What are the key properties of 3-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid?
3-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid has a molecular weight of 282.65 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 55009157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).