[2-(2,6-difluoroanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate

C15H12F2N2O3 — CID 18149612

IUPAC[2-(2,6-difluoroanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)Nc2c(F)cccc2F)cn1
InChIInChI=1S/C15H12F2N2O3/c1-9-5-6-10(7-18-9)15(21)22-8-13(20)19-14-11(16)3-2-4-12(14)17/h2-7H,8H2,1H3,(H,19,20)
InChIKeyYLZOPSZRCLQSDW-UHFFFAOYSA-N
MW306.27 g/mol
LogP2.46
Rot. Bonds4

About [2-(2,6-difluoroanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate

[2-(2,6-difluoroanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate (PubChem CID 18149612) has the molecular formula C15H12F2N2O3 and a molecular weight of 306.27 g/mol. Its IUPAC name is [2-(2,6-difluoroanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,6-difluoroanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
PubChem CID18149612
Molecular FormulaC15H12F2N2O3
Molecular Weight306.27 g/mol
Exact Mass306.08
IUPAC Name[2-(2,6-difluoroanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)Nc2c(F)cccc2F)cn1
InChIInChI=1S/C15H12F2N2O3/c1-9-5-6-10(7-18-9)15(21)22-8-13(20)19-14-11(16)3-2-4-12(14)17/h2-7H,8H2,1H3,(H,19,20)
InChIKeyYLZOPSZRCLQSDW-UHFFFAOYSA-N
XLogP2.46
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 6-methylpyridine-3-carboxylate
CID 71823490
[2-(2,6-difluoroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 2592169
[2-(2,6-difluoroanilino)-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate
CID 2396240
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 31172090
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628769
[2-(4-ethoxyanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 71823503
[2-(methylcarbamoylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 30344335
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 7556805
[2-(2,6-difluoroanilino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 2607065
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386525
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504414
[2-(2,6-difluoroanilino)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 2499608

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate?
The IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate (CID 18149612) is [2-(2,6-difluoroanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate.
What is the SMILES notation for [2-(2,6-difluoroanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate?
The canonical SMILES for [2-(2,6-difluoroanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate is Cc1ccc(C(=O)OCC(=O)Nc2c(F)cccc2F)cn1.
What is the InChIKey of [2-(2,6-difluoroanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate?
The InChIKey is YLZOPSZRCLQSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O3/c1-9-5-6-10(7-18-9)15(21)22-8-13(20)19-14-11(16)3-2-4-12(14)17/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of [2-(2,6-difluoroanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate?
[2-(2,6-difluoroanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate has a molecular weight of 306.27 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluoroanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate is sourced from PubChem (CID 18149612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).