[5-fluoro-2-(pyridine-2-carbonylamino)phenyl]methyl acetate

C15H13FN2O3 — CID 72723006

IUPAC[5-fluoro-2-(pyridine-2-carbonylamino)phenyl]methyl acetate
SMILESCC(=O)OCc1cc(F)ccc1NC(=O)c1ccccn1
InChIInChI=1S/C15H13FN2O3/c1-10(19)21-9-11-8-12(16)5-6-13(11)18-15(20)14-4-2-3-7-17-14/h2-8H,9H2,1H3,(H,18,20)
InChIKeyYPMGTFJILXAVGS-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.54
Rot. Bonds4

About [5-fluoro-2-(pyridine-2-carbonylamino)phenyl]methyl acetate

[5-fluoro-2-(pyridine-2-carbonylamino)phenyl]methyl acetate (PubChem CID 72723006) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is [5-fluoro-2-(pyridine-2-carbonylamino)phenyl]methyl acetate.

Molecular Properties

Compound Name[5-fluoro-2-(pyridine-2-carbonylamino)phenyl]methyl acetate
PubChem CID72723006
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name[5-fluoro-2-(pyridine-2-carbonylamino)phenyl]methyl acetate
SMILESCC(=O)OCc1cc(F)ccc1NC(=O)c1ccccn1
InChIInChI=1S/C15H13FN2O3/c1-10(19)21-9-11-8-12(16)5-6-13(11)18-15(20)14-4-2-3-7-17-14/h2-8H,9H2,1H3,(H,18,20)
InChIKeyYPMGTFJILXAVGS-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-(pyridine-3-carbonylamino)benzoate
CID 279888
Benzoic acid, 2-((3-pyridinylcarbonyl)amino)-, methyl ester, monohydrochloride
CID 40076
4-({[2-(Methoxycarbonyl)phenyl]amino}carbonyl)-1-methylpyridinium
CID 837410
3-Pyridinecarboxylic acid, 5-(benzoylamino)-, ethyl ester
CID 657658
4-(Pyridine-2-amido)benzoic acid
CID 16770258
[2-(3-Acetylanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088687
[2-[(2-Chloropyridin-3-yl)amino]-2-oxoethyl] 3,5-difluorobenzoate
CID 2571647
(2-Benzamido-2-oxoethyl) pyridine-2-carboxylate
CID 7477399
N'-{[(3-fluorophenyl)carbonyl]oxy}pyridine-2-carboximidamide
CID 9628343
1-[(4-Methoxycarbonyl-phenylcarbamoyl)-methyl]-pyridinium
CID 24747041
Tcmdc-123821
CID 279858
(2-Oxo-1,2-dihydroquinolin-3-yl)methyl pyridine-3-carboxylate
CID 663730

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(pyridine-2-carbonylamino)phenyl]methyl acetate?
The IUPAC name of [5-fluoro-2-(pyridine-2-carbonylamino)phenyl]methyl acetate (CID 72723006) is [5-fluoro-2-(pyridine-2-carbonylamino)phenyl]methyl acetate.
What is the SMILES notation for [5-fluoro-2-(pyridine-2-carbonylamino)phenyl]methyl acetate?
The canonical SMILES for [5-fluoro-2-(pyridine-2-carbonylamino)phenyl]methyl acetate is CC(=O)OCc1cc(F)ccc1NC(=O)c1ccccn1.
What is the InChIKey of [5-fluoro-2-(pyridine-2-carbonylamino)phenyl]methyl acetate?
The InChIKey is YPMGTFJILXAVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-10(19)21-9-11-8-12(16)5-6-13(11)18-15(20)14-4-2-3-7-17-14/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of [5-fluoro-2-(pyridine-2-carbonylamino)phenyl]methyl acetate?
[5-fluoro-2-(pyridine-2-carbonylamino)phenyl]methyl acetate has a molecular weight of 288.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(pyridine-2-carbonylamino)phenyl]methyl acetate is sourced from PubChem (CID 72723006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).