2-(1-ethoxypropan-2-ylamino)-3-fluoropyridine-4-carboxylic acid

C11H15FN2O3 — CID 105382171

IUPAC2-(1-ethoxypropan-2-ylamino)-3-fluoropyridine-4-carboxylic acid
SMILESCCOCC(C)Nc1nccc(C(=O)O)c1F
InChIInChI=1S/C11H15FN2O3/c1-3-17-6-7(2)14-10-9(12)8(11(15)16)4-5-13-10/h4-5,7H,3,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyCBWSJXHMWDIEFH-UHFFFAOYSA-N
MW242.25 g/mol
LogP1.76
Rot. Bonds6

About 2-(1-ethoxypropan-2-ylamino)-3-fluoropyridine-4-carboxylic acid

2-(1-ethoxypropan-2-ylamino)-3-fluoropyridine-4-carboxylic acid (PubChem CID 105382171) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-(1-ethoxypropan-2-ylamino)-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-ethoxypropan-2-ylamino)-3-fluoropyridine-4-carboxylic acid
PubChem CID105382171
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name2-(1-ethoxypropan-2-ylamino)-3-fluoropyridine-4-carboxylic acid
SMILESCCOCC(C)Nc1nccc(C(=O)O)c1F
InChIInChI=1S/C11H15FN2O3/c1-3-17-6-7(2)14-10-9(12)8(11(15)16)4-5-13-10/h4-5,7H,3,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyCBWSJXHMWDIEFH-UHFFFAOYSA-N
XLogP1.76
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-(4-methylsulfanylbutan-2-ylamino)pyridine-4-carboxylic acid
CID 105382664
3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid
CID 105382162
3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid
CID 106019558
3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 105382448
3-fluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 106161995
3-fluoro-2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 105382410
2-(1-cyclohexylpropylamino)-3-fluoropyridine-4-carboxylic acid
CID 105382250
3-fluoro-2-(1-thiophen-3-ylethylamino)pyridine-4-carboxylic acid
CID 105382273
4-(1-ethoxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid
CID 81243462
N-(1-ethoxypropan-2-yl)-2-(methylamino)pyridine-3-carboxamide
CID 62174214
2-(1-ethoxypropan-2-ylamino)-6-fluorobenzoic acid
CID 79522042
3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 105382642

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropan-2-ylamino)-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(1-ethoxypropan-2-ylamino)-3-fluoropyridine-4-carboxylic acid (CID 105382171) is 2-(1-ethoxypropan-2-ylamino)-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(1-ethoxypropan-2-ylamino)-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(1-ethoxypropan-2-ylamino)-3-fluoropyridine-4-carboxylic acid is CCOCC(C)Nc1nccc(C(=O)O)c1F.
What is the InChIKey of 2-(1-ethoxypropan-2-ylamino)-3-fluoropyridine-4-carboxylic acid?
The InChIKey is CBWSJXHMWDIEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-3-17-6-7(2)14-10-9(12)8(11(15)16)4-5-13-10/h4-5,7H,3,6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-(1-ethoxypropan-2-ylamino)-3-fluoropyridine-4-carboxylic acid?
2-(1-ethoxypropan-2-ylamino)-3-fluoropyridine-4-carboxylic acid has a molecular weight of 242.25 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropan-2-ylamino)-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 105382171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).