methyl 5-[[2-fluoro-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate

C16H9F7N2O3 — CID 90314496

IUPACmethyl 5-[[2-fluoro-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2c(F)cc(C(F)(F)F)cc2C(F)(F)F)cn1
InChIInChI=1S/C16H9F7N2O3/c1-28-14(27)11-3-2-8(6-24-11)25-13(26)12-9(16(21,22)23)4-7(5-10(12)17)15(18,19)20/h2-6H,1H3,(H,25,26)
InChIKeyKIMCPZWKFAYWGU-UHFFFAOYSA-N
MW410.25 g/mol
LogP4.30
Rot. Bonds3

About methyl 5-[[2-fluoro-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate

methyl 5-[[2-fluoro-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate (PubChem CID 90314496) has the molecular formula C16H9F7N2O3 and a molecular weight of 410.25 g/mol. Its IUPAC name is methyl 5-[[2-fluoro-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-fluoro-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate
PubChem CID90314496
Molecular FormulaC16H9F7N2O3
Molecular Weight410.25 g/mol
Exact Mass410.05
IUPAC Namemethyl 5-[[2-fluoro-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2c(F)cc(C(F)(F)F)cc2C(F)(F)F)cn1
InChIInChI=1S/C16H9F7N2O3/c1-28-14(27)11-3-2-8(6-24-11)25-13(26)12-9(16(21,22)23)4-7(5-10(12)17)15(18,19)20/h2-6H,1H3,(H,25,26)
InChIKeyKIMCPZWKFAYWGU-UHFFFAOYSA-N
XLogP4.30
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-fluoro-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[[2-fluoro-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate (CID 90314496) is methyl 5-[[2-fluoro-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-fluoro-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[2-fluoro-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate is COC(=O)c1ccc(NC(=O)c2c(F)cc(C(F)(F)F)cc2C(F)(F)F)cn1.
What is the InChIKey of methyl 5-[[2-fluoro-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate?
The InChIKey is KIMCPZWKFAYWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F7N2O3/c1-28-14(27)11-3-2-8(6-24-11)25-13(26)12-9(16(21,22)23)4-7(5-10(12)17)15(18,19)20/h2-6H,1H3,(H,25,26).
What are the key properties of methyl 5-[[2-fluoro-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate?
methyl 5-[[2-fluoro-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate has a molecular weight of 410.25 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-fluoro-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 90314496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).