cyclopropyl 4-(4-chloro-2-fluoroanilino)-5-fluoro-1-methyl-6-oxopyridine-3-carboxylate

C16H13ClF2N2O3 — CID 174522613

IUPACcyclopropyl 4-(4-chloro-2-fluoroanilino)-5-fluoro-1-methyl-6-oxopyridine-3-carboxylate
SMILESCn1cc(C(=O)OC2CC2)c(Nc2ccc(Cl)cc2F)c(F)c1=O
InChIInChI=1S/C16H13ClF2N2O3/c1-21-7-10(16(23)24-9-3-4-9)14(13(19)15(21)22)20-12-5-2-8(17)6-11(12)18/h2,5-7,9,20H,3-4H2,1H3
InChIKeyGLISEKAZWOCMIR-UHFFFAOYSA-N
MW354.74 g/mol
LogP3.38
Rot. Bonds4

About cyclopropyl 4-(4-chloro-2-fluoroanilino)-5-fluoro-1-methyl-6-oxopyridine-3-carboxylate

cyclopropyl 4-(4-chloro-2-fluoroanilino)-5-fluoro-1-methyl-6-oxopyridine-3-carboxylate (PubChem CID 174522613) has the molecular formula C16H13ClF2N2O3 and a molecular weight of 354.74 g/mol. Its IUPAC name is cyclopropyl 4-(4-chloro-2-fluoroanilino)-5-fluoro-1-methyl-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namecyclopropyl 4-(4-chloro-2-fluoroanilino)-5-fluoro-1-methyl-6-oxopyridine-3-carboxylate
PubChem CID174522613
Molecular FormulaC16H13ClF2N2O3
Molecular Weight354.74 g/mol
Exact Mass354.06
IUPAC Namecyclopropyl 4-(4-chloro-2-fluoroanilino)-5-fluoro-1-methyl-6-oxopyridine-3-carboxylate
SMILESCn1cc(C(=O)OC2CC2)c(Nc2ccc(Cl)cc2F)c(F)c1=O
InChIInChI=1S/C16H13ClF2N2O3/c1-21-7-10(16(23)24-9-3-4-9)14(13(19)15(21)22)20-12-5-2-8(17)6-11(12)18/h2,5-7,9,20H,3-4H2,1H3
InChIKeyGLISEKAZWOCMIR-UHFFFAOYSA-N
XLogP3.38
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.74
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylcyclohexyl) 5-chloro-2-fluorobenzoate
CID 60674778
3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 118430946
cyclopentyl N-(4-chloro-2-fluorophenyl)carbamate
CID 112738809
4-(4-bromo-2-fluoroanilino)-3-fluoro-1,5-dimethylpyridin-2-one
CID 90144048
4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxopyridine-3-carboxylic acid;N-[(2-methylpropan-2-yl)oxy]decan-1-amine
CID 161073694
4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 11690375
4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 11395411
(4-methylcyclohexyl) 2-amino-5-chlorobenzoate
CID 63446664
3,4-difluoro-2-(2-fluoro-4-methylanilino)benzoyl fluoride;ethane
CID 171642357
[4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxo-3-pyridinyl]-dioxidoazanium
CID 163661650
(3,5-dimethylcyclohexyl) 5-chloro-2-fluorobenzoate
CID 64732439
cyclohexyl 2-fluoro-5-methylbenzoate
CID 62947219

Frequently Asked Questions

What is the IUPAC name of cyclopropyl 4-(4-chloro-2-fluoroanilino)-5-fluoro-1-methyl-6-oxopyridine-3-carboxylate?
The IUPAC name of cyclopropyl 4-(4-chloro-2-fluoroanilino)-5-fluoro-1-methyl-6-oxopyridine-3-carboxylate (CID 174522613) is cyclopropyl 4-(4-chloro-2-fluoroanilino)-5-fluoro-1-methyl-6-oxopyridine-3-carboxylate.
What is the SMILES notation for cyclopropyl 4-(4-chloro-2-fluoroanilino)-5-fluoro-1-methyl-6-oxopyridine-3-carboxylate?
The canonical SMILES for cyclopropyl 4-(4-chloro-2-fluoroanilino)-5-fluoro-1-methyl-6-oxopyridine-3-carboxylate is Cn1cc(C(=O)OC2CC2)c(Nc2ccc(Cl)cc2F)c(F)c1=O.
What is the InChIKey of cyclopropyl 4-(4-chloro-2-fluoroanilino)-5-fluoro-1-methyl-6-oxopyridine-3-carboxylate?
The InChIKey is GLISEKAZWOCMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2O3/c1-21-7-10(16(23)24-9-3-4-9)14(13(19)15(21)22)20-12-5-2-8(17)6-11(12)18/h2,5-7,9,20H,3-4H2,1H3.
What are the key properties of cyclopropyl 4-(4-chloro-2-fluoroanilino)-5-fluoro-1-methyl-6-oxopyridine-3-carboxylate?
cyclopropyl 4-(4-chloro-2-fluoroanilino)-5-fluoro-1-methyl-6-oxopyridine-3-carboxylate has a molecular weight of 354.74 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 4-(4-chloro-2-fluoroanilino)-5-fluoro-1-methyl-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 174522613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).