methyl 4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]pyridine-2-carboxylate

C17H14Cl2F2N2O3 — CID 142760620

IUPACmethyl 4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(C(C)F)c2F)cc(NC(C)=O)c1Cl
InChIInChI=1S/C17H14Cl2F2N2O3/c1-7(20)13-10(18)5-4-9(15(13)21)11-6-12(22-8(2)24)14(19)16(23-11)17(25)26-3/h4-7H,1-3H3,(H,22,23,24)
InChIKeyIGKGFOTWAYTAKX-UHFFFAOYSA-N
MW403.21 g/mol
LogP4.97
Rot. Bonds4

About methyl 4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]pyridine-2-carboxylate

methyl 4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]pyridine-2-carboxylate (PubChem CID 142760620) has the molecular formula C17H14Cl2F2N2O3 and a molecular weight of 403.21 g/mol. Its IUPAC name is methyl 4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]pyridine-2-carboxylate
PubChem CID142760620
Molecular FormulaC17H14Cl2F2N2O3
Molecular Weight403.21 g/mol
Exact Mass402.03
IUPAC Namemethyl 4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(C(C)F)c2F)cc(NC(C)=O)c1Cl
InChIInChI=1S/C17H14Cl2F2N2O3/c1-7(20)13-10(18)5-4-9(15(13)21)11-6-12(22-8(2)24)14(19)16(23-11)17(25)26-3/h4-7H,1-3H3,(H,22,23,24)
InChIKeyIGKGFOTWAYTAKX-UHFFFAOYSA-N
XLogP4.97
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.21
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]pyridine-2-carboxylate (CID 142760620) is methyl 4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(Cl)c(C(C)F)c2F)cc(NC(C)=O)c1Cl.
What is the InChIKey of methyl 4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]pyridine-2-carboxylate?
The InChIKey is IGKGFOTWAYTAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F2N2O3/c1-7(20)13-10(18)5-4-9(15(13)21)11-6-12(22-8(2)24)14(19)16(23-11)17(25)26-3/h4-7H,1-3H3,(H,22,23,24).
What are the key properties of methyl 4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]pyridine-2-carboxylate?
methyl 4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]pyridine-2-carboxylate has a molecular weight of 403.21 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 142760620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).