methyl 2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylate

C15H15FN2O2 — CID 155452277

IUPACmethyl 2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C)nc1Nc1ccc(F)cc1C
InChIInChI=1S/C15H15FN2O2/c1-9-8-11(16)5-7-13(9)18-14-12(15(19)20-3)6-4-10(2)17-14/h4-8H,1-3H3,(H,17,18)
InChIKeyBVNHSSKHVVECPM-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.37
Rot. Bonds3

About methyl 2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylate

methyl 2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylate (PubChem CID 155452277) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is methyl 2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylate
PubChem CID155452277
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Namemethyl 2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C)nc1Nc1ccc(F)cc1C
InChIInChI=1S/C15H15FN2O2/c1-9-8-11(16)5-7-13(9)18-14-12(15(19)20-3)6-4-10(2)17-14/h4-8H,1-3H3,(H,17,18)
InChIKeyBVNHSSKHVVECPM-UHFFFAOYSA-N
XLogP3.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylate?
The IUPAC name of methyl 2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylate (CID 155452277) is methyl 2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylate is COC(=O)c1ccc(C)nc1Nc1ccc(F)cc1C.
What is the InChIKey of methyl 2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylate?
The InChIKey is BVNHSSKHVVECPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-9-8-11(16)5-7-13(9)18-14-12(15(19)20-3)6-4-10(2)17-14/h4-8H,1-3H3,(H,17,18).
What are the key properties of methyl 2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylate?
methyl 2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylate has a molecular weight of 274.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 155452277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).