5-(2-chloro-6-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

C18H17ClFNO5 — CID 165477458

IUPAC5-(2-chloro-6-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)Cn1cc(-c2c(F)cccc2Cl)cc(C(=O)O)c1=O
InChIInChI=1S/C18H17ClFNO5/c1-18(2,3)26-14(22)9-21-8-10(7-11(16(21)23)17(24)25)15-12(19)5-4-6-13(15)20/h4-8H,9H2,1-3H3,(H,24,25)
InChIKeyZPOZBGRPOFDPRD-UHFFFAOYSA-N
MW381.79 g/mol
LogP3.35
Rot. Bonds4

About 5-(2-chloro-6-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

5-(2-chloro-6-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 165477458) has the molecular formula C18H17ClFNO5 and a molecular weight of 381.79 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
PubChem CID165477458
Molecular FormulaC18H17ClFNO5
Molecular Weight381.79 g/mol
Exact Mass381.08
IUPAC Name5-(2-chloro-6-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)Cn1cc(-c2c(F)cccc2Cl)cc(C(=O)O)c1=O
InChIInChI=1S/C18H17ClFNO5/c1-18(2,3)26-14(22)9-21-8-10(7-11(16(21)23)17(24)25)15-12(19)5-4-6-13(15)20/h4-8H,9H2,1-3H3,(H,24,25)
InChIKeyZPOZBGRPOFDPRD-UHFFFAOYSA-N
XLogP3.35
TPSA85.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.79
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,6-dimethoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 165489373
5-(3-carboxy-4-chlorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 165489809
5-(2,5-difluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 165489383
5-(5-fluoro-2-methylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 165477456
5-[3-(hydroxymethyl)phenyl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 165477378
5-(2-ethylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 165489417
5-(4-methoxycarbonylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 165489418
5-(5-formylfuran-2-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 165489416
tert-butyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-5-chloro-2-methylindol-1-yl]acetate
CID 67150867
methyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate
CID 70326272
tert-butyl 2-[6-(4-chloro-3-oxo-1H-isoindol-2-yl)indol-1-yl]acetate
CID 59473732
tert-butyl 3-(3-chloro-2-fluorophenyl)-3-oxopropanoate
CID 170857454

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (CID 165477458) is 5-(2-chloro-6-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is CC(C)(C)OC(=O)Cn1cc(-c2c(F)cccc2Cl)cc(C(=O)O)c1=O.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is ZPOZBGRPOFDPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO5/c1-18(2,3)26-14(22)9-21-8-10(7-11(16(21)23)17(24)25)15-12(19)5-4-6-13(15)20/h4-8H,9H2,1-3H3,(H,24,25).
What are the key properties of 5-(2-chloro-6-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
5-(2-chloro-6-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 381.79 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 165477458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).