2-aminoethyl pyridine-3-carboxylate;2,2,2-trifluoroacetic acid

C10H11F3N2O4 — CID 174924266

IUPAC2-aminoethyl pyridine-3-carboxylate;2,2,2-trifluoroacetic acid
SMILESNCCOC(=O)c1cccnc1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H10N2O2.C2HF3O2/c9-3-5-12-8(11)7-2-1-4-10-6-7;3-2(4,5)1(6)7/h1-2,4,6H,3,5,9H2;(H,6,7)
InChIKeyMIKCUIJVFCRTKG-UHFFFAOYSA-N
MW280.20 g/mol
LogP0.83
Rot. Bonds3

About 2-aminoethyl pyridine-3-carboxylate;2,2,2-trifluoroacetic acid

2-aminoethyl pyridine-3-carboxylate;2,2,2-trifluoroacetic acid (PubChem CID 174924266) has the molecular formula C10H11F3N2O4 and a molecular weight of 280.20 g/mol. Its IUPAC name is 2-aminoethyl pyridine-3-carboxylate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-aminoethyl pyridine-3-carboxylate;2,2,2-trifluoroacetic acid
PubChem CID174924266
Molecular FormulaC10H11F3N2O4
Molecular Weight280.20 g/mol
Exact Mass280.07
IUPAC Name2-aminoethyl pyridine-3-carboxylate;2,2,2-trifluoroacetic acid
SMILESNCCOC(=O)c1cccnc1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H10N2O2.C2HF3O2/c9-3-5-12-8(11)7-2-1-4-10-6-7;3-2(4,5)1(6)7/h1-2,4,6H,3,5,9H2;(H,6,7)
InChIKeyMIKCUIJVFCRTKG-UHFFFAOYSA-N
XLogP0.83
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-fluoro-3-methylbutyl) pyridine-3-carboxylate
CID 146343265
heptyl pyridine-3-carboxylate
CID 531638
3-(dimethylamino)propyl pyridine-3-carboxylate
CID 141402583
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213
2-aminoacetic acid;bis(pyridine-3-carboxylic acid)
CID 146402763
ethyl 2,2,2-trifluoroacetate;pyridine-3-carboxylic acid
CID 159414829
2-oxoethyl pyridine-3-carboxylate
CID 54542225
2-oxopropyl pyridine-3-carboxylate
CID 69192363
azane;pyridine-3-carbonyl pyridine-3-carboxylate
CID 174932870
2-[4-(2-aminoethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylic acid
CID 70895468
CID 51031907
CID 51031907

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl pyridine-3-carboxylate;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-aminoethyl pyridine-3-carboxylate;2,2,2-trifluoroacetic acid (CID 174924266) is 2-aminoethyl pyridine-3-carboxylate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-aminoethyl pyridine-3-carboxylate;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-aminoethyl pyridine-3-carboxylate;2,2,2-trifluoroacetic acid is NCCOC(=O)c1cccnc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-aminoethyl pyridine-3-carboxylate;2,2,2-trifluoroacetic acid?
The InChIKey is MIKCUIJVFCRTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.C2HF3O2/c9-3-5-12-8(11)7-2-1-4-10-6-7;3-2(4,5)1(6)7/h1-2,4,6H,3,5,9H2;(H,6,7).
What are the key properties of 2-aminoethyl pyridine-3-carboxylate;2,2,2-trifluoroacetic acid?
2-aminoethyl pyridine-3-carboxylate;2,2,2-trifluoroacetic acid has a molecular weight of 280.20 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl pyridine-3-carboxylate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174924266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).