3-fluoro-2-[2-hydroxyethyl(methyl)amino]pyridine-4-carboxylic acid

C9H11FN2O3 — CID 105381967

IUPAC3-fluoro-2-[2-hydroxyethyl(methyl)amino]pyridine-4-carboxylic acid
SMILESCN(CCO)c1nccc(C(=O)O)c1F
InChIInChI=1S/C9H11FN2O3/c1-12(4-5-13)8-7(10)6(9(14)15)2-3-11-8/h2-3,13H,4-5H2,1H3,(H,14,15)
InChIKeyZSWTUJXNMGBMMG-UHFFFAOYSA-N
MW214.20 g/mol
LogP0.35
Rot. Bonds4

About 3-fluoro-2-[2-hydroxyethyl(methyl)amino]pyridine-4-carboxylic acid

3-fluoro-2-[2-hydroxyethyl(methyl)amino]pyridine-4-carboxylic acid (PubChem CID 105381967) has the molecular formula C9H11FN2O3 and a molecular weight of 214.20 g/mol. Its IUPAC name is 3-fluoro-2-[2-hydroxyethyl(methyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-[2-hydroxyethyl(methyl)amino]pyridine-4-carboxylic acid
PubChem CID105381967
Molecular FormulaC9H11FN2O3
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Name3-fluoro-2-[2-hydroxyethyl(methyl)amino]pyridine-4-carboxylic acid
SMILESCN(CCO)c1nccc(C(=O)O)c1F
InChIInChI=1S/C9H11FN2O3/c1-12(4-5-13)8-7(10)6(9(14)15)2-3-11-8/h2-3,13H,4-5H2,1H3,(H,14,15)
InChIKeyZSWTUJXNMGBMMG-UHFFFAOYSA-N
XLogP0.35
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-[methyl-[3-(methylamino)propyl]amino]pyridine-4-carboxylic acid
CID 105382506
3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 105382002
2-(dibutylamino)-3-fluoropyridine-4-carboxylic acid
CID 105381871
2-[(2-chlorophenyl)methyl-methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382004
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluoropyridine-4-carboxylic acid
CID 105382343
3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 105382575
6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid
CID 63380049
3-fluoro-2-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 105382713
2-(N-ethyl-2-fluoroanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382212
2-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382292
3-[methyl(propyl)amino]pyridazine-4-carboxylic acid
CID 80517652
2-[1-(2-chlorophenyl)ethyl-methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382293

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[2-hydroxyethyl(methyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-[2-hydroxyethyl(methyl)amino]pyridine-4-carboxylic acid (CID 105381967) is 3-fluoro-2-[2-hydroxyethyl(methyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-[2-hydroxyethyl(methyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-[2-hydroxyethyl(methyl)amino]pyridine-4-carboxylic acid is CN(CCO)c1nccc(C(=O)O)c1F.
What is the InChIKey of 3-fluoro-2-[2-hydroxyethyl(methyl)amino]pyridine-4-carboxylic acid?
The InChIKey is ZSWTUJXNMGBMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3/c1-12(4-5-13)8-7(10)6(9(14)15)2-3-11-8/h2-3,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 3-fluoro-2-[2-hydroxyethyl(methyl)amino]pyridine-4-carboxylic acid?
3-fluoro-2-[2-hydroxyethyl(methyl)amino]pyridine-4-carboxylic acid has a molecular weight of 214.20 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[2-hydroxyethyl(methyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 105381967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).