methyl 6-[3-(dimethylcarbamoyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate

C16H13F3N2O3 — CID 66652747

IUPACmethyl 6-[3-(dimethylcarbamoyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)c(-c2c(F)ccc(C(=O)N(C)C)c2F)n1
InChIInChI=1S/C16H13F3N2O3/c1-21(2)15(22)8-4-5-9(17)12(13(8)19)14-10(18)6-7-11(20-14)16(23)24-3/h4-7H,1-3H3
InChIKeyPWYQJJVKYICZRR-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.65
Rot. Bonds3

About methyl 6-[3-(dimethylcarbamoyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate

methyl 6-[3-(dimethylcarbamoyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate (PubChem CID 66652747) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is methyl 6-[3-(dimethylcarbamoyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(dimethylcarbamoyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate
PubChem CID66652747
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC Namemethyl 6-[3-(dimethylcarbamoyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)c(-c2c(F)ccc(C(=O)N(C)C)c2F)n1
InChIInChI=1S/C16H13F3N2O3/c1-21(2)15(22)8-4-5-9(17)12(13(8)19)14-10(18)6-7-11(20-14)16(23)24-3/h4-7H,1-3H3
InChIKeyPWYQJJVKYICZRR-UHFFFAOYSA-N
XLogP2.65
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(dimethylcarbamoyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 6-[3-(dimethylcarbamoyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate (CID 66652747) is methyl 6-[3-(dimethylcarbamoyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[3-(dimethylcarbamoyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 6-[3-(dimethylcarbamoyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate is COC(=O)c1ccc(F)c(-c2c(F)ccc(C(=O)N(C)C)c2F)n1.
What is the InChIKey of methyl 6-[3-(dimethylcarbamoyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate?
The InChIKey is PWYQJJVKYICZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c1-21(2)15(22)8-4-5-9(17)12(13(8)19)14-10(18)6-7-11(20-14)16(23)24-3/h4-7H,1-3H3.
What are the key properties of methyl 6-[3-(dimethylcarbamoyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate?
methyl 6-[3-(dimethylcarbamoyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate has a molecular weight of 338.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(dimethylcarbamoyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 66652747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).