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

C15H13FN2O3 — CID 7477385

IUPAC[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
SMILESC[C@H](OC(=O)c1ccccn1)C(=O)Nc1ccccc1F
InChIInChI=1S/C15H13FN2O3/c1-10(21-15(20)13-8-4-5-9-17-13)14(19)18-12-7-3-2-6-11(12)16/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyQJYRYLAZNCDUAP-JTQLQIEISA-N
MW288.28 g/mol
LogP2.40
Rot. Bonds4

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

[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate (PubChem CID 7477385) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
PubChem CID7477385
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
SMILESC[C@H](OC(=O)c1ccccn1)C(=O)Nc1ccccc1F
InChIInChI=1S/C15H13FN2O3/c1-10(21-15(20)13-8-4-5-9-17-13)14(19)18-12-7-3-2-6-11(12)16/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyQJYRYLAZNCDUAP-JTQLQIEISA-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

[1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 23831746
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate
CID 2516964
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477255
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477460
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 46790194
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate
CID 7773911
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7776044
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 2606399
[2-(2-fluoroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088633
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate
CID 2572118
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate
CID 2572120
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-formylbenzoate
CID 7669485

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate?
The IUPAC name of [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate (CID 7477385) is [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate.
What is the SMILES notation for [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate?
The canonical SMILES for [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate is C[C@H](OC(=O)c1ccccn1)C(=O)Nc1ccccc1F.
What is the InChIKey of [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate?
The InChIKey is QJYRYLAZNCDUAP-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-10(21-15(20)13-8-4-5-9-17-13)14(19)18-12-7-3-2-6-11(12)16/h2-10H,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate?
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-2-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 [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate is sourced from PubChem (CID 7477385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).