methyl 3-fluoro-5-[(2-hydroxy-2,3-dimethylbutanoyl)oxymethyl]pyridine-2-carboxylate

C14H18FNO5 — CID 167916298

IUPACmethyl 3-fluoro-5-[(2-hydroxy-2,3-dimethylbutanoyl)oxymethyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(COC(=O)C(C)(O)C(C)C)cc1F
InChIInChI=1S/C14H18FNO5/c1-8(2)14(3,19)13(18)21-7-9-5-10(15)11(16-6-9)12(17)20-4/h5-6,8,19H,7H2,1-4H3
InChIKeyGKAOQPNZDSYWII-UHFFFAOYSA-N
MW299.30 g/mol
LogP1.46
Rot. Bonds5

About methyl 3-fluoro-5-[(2-hydroxy-2,3-dimethylbutanoyl)oxymethyl]pyridine-2-carboxylate

methyl 3-fluoro-5-[(2-hydroxy-2,3-dimethylbutanoyl)oxymethyl]pyridine-2-carboxylate (PubChem CID 167916298) has the molecular formula C14H18FNO5 and a molecular weight of 299.30 g/mol. Its IUPAC name is methyl 3-fluoro-5-[(2-hydroxy-2,3-dimethylbutanoyl)oxymethyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-5-[(2-hydroxy-2,3-dimethylbutanoyl)oxymethyl]pyridine-2-carboxylate
PubChem CID167916298
Molecular FormulaC14H18FNO5
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Namemethyl 3-fluoro-5-[(2-hydroxy-2,3-dimethylbutanoyl)oxymethyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(COC(=O)C(C)(O)C(C)C)cc1F
InChIInChI=1S/C14H18FNO5/c1-8(2)14(3,19)13(18)21-7-9-5-10(15)11(16-6-9)12(17)20-4/h5-6,8,19H,7H2,1-4H3
InChIKeyGKAOQPNZDSYWII-UHFFFAOYSA-N
XLogP1.46
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate
CID 117275720
methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 130096508
methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoropyridine-2-carboxylate
CID 131748526
2-methoxycarbonyl-5-(methoxymethyl)pyridine-3-carboxylic acid
CID 67683783
ethyl 3-fluoro-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate
CID 67778422
methyl 3-fluoro-5-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
CID 134636624
methyl 3-(aminomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carboxylate
CID 133104277
methyl 3-fluoro-5-[(1S)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-phenylpropoxy]pyridine-2-carboxylate
CID 156780484
methyl 3-(3-fluoro-5-methyl-2-pyridinyl)-2-methyl-3-oxopropanoate
CID 131865851
methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 130104314
ethyl 5-amino-3-fluoropyridine-2-carboxylate
CID 119005075
6-methoxycarbonyl-5-(2-methylpropoxy)pyridine-3-carboxylic acid
CID 19960366

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-5-[(2-hydroxy-2,3-dimethylbutanoyl)oxymethyl]pyridine-2-carboxylate?
The IUPAC name of methyl 3-fluoro-5-[(2-hydroxy-2,3-dimethylbutanoyl)oxymethyl]pyridine-2-carboxylate (CID 167916298) is methyl 3-fluoro-5-[(2-hydroxy-2,3-dimethylbutanoyl)oxymethyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-fluoro-5-[(2-hydroxy-2,3-dimethylbutanoyl)oxymethyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-fluoro-5-[(2-hydroxy-2,3-dimethylbutanoyl)oxymethyl]pyridine-2-carboxylate is COC(=O)c1ncc(COC(=O)C(C)(O)C(C)C)cc1F.
What is the InChIKey of methyl 3-fluoro-5-[(2-hydroxy-2,3-dimethylbutanoyl)oxymethyl]pyridine-2-carboxylate?
The InChIKey is GKAOQPNZDSYWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO5/c1-8(2)14(3,19)13(18)21-7-9-5-10(15)11(16-6-9)12(17)20-4/h5-6,8,19H,7H2,1-4H3.
What are the key properties of methyl 3-fluoro-5-[(2-hydroxy-2,3-dimethylbutanoyl)oxymethyl]pyridine-2-carboxylate?
methyl 3-fluoro-5-[(2-hydroxy-2,3-dimethylbutanoyl)oxymethyl]pyridine-2-carboxylate has a molecular weight of 299.30 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-5-[(2-hydroxy-2,3-dimethylbutanoyl)oxymethyl]pyridine-2-carboxylate is sourced from PubChem (CID 167916298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).