5-(3-ethoxy-2-fluoro-3-oxopropyl)pyridine-2-carboxylic acid;hydrochloride

C11H13ClFNO4 — CID 156739311

IUPAC5-(3-ethoxy-2-fluoro-3-oxopropyl)pyridine-2-carboxylic acid;hydrochloride
SMILESCCOC(=O)C(F)Cc1ccc(C(=O)O)nc1.Cl
InChIInChI=1S/C11H12FNO4.ClH/c1-2-17-11(16)8(12)5-7-3-4-9(10(14)15)13-6-7;/h3-4,6,8H,2,5H2,1H3,(H,14,15);1H
InChIKeyMSFDQESOIFQLEV-UHFFFAOYSA-N
MW277.68 g/mol
LogP1.65
Rot. Bonds5

About 5-(3-ethoxy-2-fluoro-3-oxopropyl)pyridine-2-carboxylic acid;hydrochloride

5-(3-ethoxy-2-fluoro-3-oxopropyl)pyridine-2-carboxylic acid;hydrochloride (PubChem CID 156739311) has the molecular formula C11H13ClFNO4 and a molecular weight of 277.68 g/mol. Its IUPAC name is 5-(3-ethoxy-2-fluoro-3-oxopropyl)pyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-(3-ethoxy-2-fluoro-3-oxopropyl)pyridine-2-carboxylic acid;hydrochloride
PubChem CID156739311
Molecular FormulaC11H13ClFNO4
Molecular Weight277.68 g/mol
Exact Mass277.05
IUPAC Name5-(3-ethoxy-2-fluoro-3-oxopropyl)pyridine-2-carboxylic acid;hydrochloride
SMILESCCOC(=O)C(F)Cc1ccc(C(=O)O)nc1.Cl
InChIInChI=1S/C11H12FNO4.ClH/c1-2-17-11(16)8(12)5-7-3-4-9(10(14)15)13-6-7;/h3-4,6,8H,2,5H2,1H3,(H,14,15);1H
InChIKeyMSFDQESOIFQLEV-UHFFFAOYSA-N
XLogP1.65
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.68
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 5-(3-ethoxy-2-fluoro-3-oxopropyl)pyridine-2-carboxylate
CID 156739370
ethyl 2-fluoro-3-pyridin-3-ylpropanoate
CID 55265604
ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate
CID 141121137
5-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81090541
ethyl 5-(2-aminopropyl)pyridine-2-carboxylate
CID 15067117
5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid
CID 79794956
bis(5-butylpyridine-2-carboxylic acid);copper(1+)
CID 42613105
tris(5-butylpyridine-2-carboxylic acid);iron
CID 91867238
5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 103156329
ethyl (2S)-2-[(6-chloro-3-pyridinyl)methyl]-4,4,4-trifluoro-3-oxobutanoate
CID 125492005
5-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81095512
ethyl (2R)-2-[(6-chloro-3-pyridinyl)methyl]-4,4,4-trifluoro-3-oxobutanoate
CID 125492004

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxy-2-fluoro-3-oxopropyl)pyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 5-(3-ethoxy-2-fluoro-3-oxopropyl)pyridine-2-carboxylic acid;hydrochloride (CID 156739311) is 5-(3-ethoxy-2-fluoro-3-oxopropyl)pyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-(3-ethoxy-2-fluoro-3-oxopropyl)pyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 5-(3-ethoxy-2-fluoro-3-oxopropyl)pyridine-2-carboxylic acid;hydrochloride is CCOC(=O)C(F)Cc1ccc(C(=O)O)nc1.Cl.
What is the InChIKey of 5-(3-ethoxy-2-fluoro-3-oxopropyl)pyridine-2-carboxylic acid;hydrochloride?
The InChIKey is MSFDQESOIFQLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4.ClH/c1-2-17-11(16)8(12)5-7-3-4-9(10(14)15)13-6-7;/h3-4,6,8H,2,5H2,1H3,(H,14,15);1H.
What are the key properties of 5-(3-ethoxy-2-fluoro-3-oxopropyl)pyridine-2-carboxylic acid;hydrochloride?
5-(3-ethoxy-2-fluoro-3-oxopropyl)pyridine-2-carboxylic acid;hydrochloride has a molecular weight of 277.68 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxy-2-fluoro-3-oxopropyl)pyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 156739311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).