2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-3-carboxylic acid

C11H13F3N2O3 — CID 114198835

IUPAC2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CN(CCO)CC(F)(F)F
InChIInChI=1S/C11H13F3N2O3/c12-11(13,14)7-16(4-5-17)6-9-8(10(18)19)2-1-3-15-9/h1-3,17H,4-7H2,(H,18,19)
InChIKeyFEBHTAQGLYPBBK-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.14
Rot. Bonds6

About 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-3-carboxylic acid

2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-3-carboxylic acid (PubChem CID 114198835) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-3-carboxylic acid
PubChem CID114198835
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CN(CCO)CC(F)(F)F
InChIInChI=1S/C11H13F3N2O3/c12-11(13,14)7-16(4-5-17)6-9-8(10(18)19)2-1-3-15-9/h1-3,17H,4-7H2,(H,18,19)
InChIKeyFEBHTAQGLYPBBK-UHFFFAOYSA-N
XLogP1.14
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid
CID 82187670
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
CID 63616260
2-fluoro-4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzoic acid
CID 107480946
2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzamide
CID 107485874
2-[[(2-amino-2-oxoethyl)-butylamino]methyl]pyridine-3-carboxylic acid
CID 114198495
2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide
CID 107493149
4-fluoro-3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzoic acid
CID 107480934
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-pyrimidin-2-ylacetamide
CID 107485826
2-(chloromethyl)pyridine-3-carboxylic acid
CID 19829123
2-[[(2-chlorophenyl)methyl-ethylamino]methyl]pyridine-3-carboxylic acid
CID 136574744
N-(2-hydroxyethyl)-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107486122
2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614111

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-3-carboxylic acid (CID 114198835) is 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-3-carboxylic acid?
The InChIKey is FEBHTAQGLYPBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c12-11(13,14)7-16(4-5-17)6-9-8(10(18)19)2-1-3-15-9/h1-3,17H,4-7H2,(H,18,19).
What are the key properties of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-3-carboxylic acid?
2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-3-carboxylic acid has a molecular weight of 278.23 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114198835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).