[1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate

C15H13FN2O3 — CID 23831746

IUPAC[1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
SMILESCC(OC(=O)c1ccncc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C15H13FN2O3/c1-10(21-15(20)11-6-8-17-9-7-11)14(19)18-13-5-3-2-4-12(13)16/h2-10H,1H3,(H,18,19)
InChIKeyBVQFNWBKDNJSAI-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.40
Rot. Bonds4

About [1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate

[1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate (PubChem CID 23831746) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is [1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
PubChem CID23831746
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name[1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
SMILESCC(OC(=O)c1ccncc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C15H13FN2O3/c1-10(21-15(20)11-6-8-17-9-7-11)14(19)18-13-5-3-2-4-12(13)16/h2-10H,1H3,(H,18,19)
InChIKeyBVQFNWBKDNJSAI-UHFFFAOYSA-N
XLogP2.40
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate
CID 2516964
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 2606399
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 7478119
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-formylbenzoate
CID 7669485
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(trifluoromethoxy)benzoate
CID 7796422
[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 2625888
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477385
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 46790194
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 2626127
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 2437550
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
CID 2518669
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(2,2-dimethylpropanoylamino)benzoate
CID 55541712

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate?
The IUPAC name of [1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate (CID 23831746) is [1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate.
What is the SMILES notation for [1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate?
The canonical SMILES for [1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate is CC(OC(=O)c1ccncc1)C(=O)Nc1ccccc1F.
What is the InChIKey of [1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate?
The InChIKey is BVQFNWBKDNJSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-10(21-15(20)11-6-8-17-9-7-11)14(19)18-13-5-3-2-4-12(13)16/h2-10H,1H3,(H,18,19).
What are the key properties of [1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate?
[1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate has a molecular weight of 288.28 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate is sourced from PubChem (CID 23831746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).