methyl 6-amino-3-(difluoromethyl)-5-methylpyridine-2-carboxylate

C9H10F2N2O2 — CID 130106594

IUPACmethyl 6-amino-3-(difluoromethyl)-5-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(N)c(C)cc1C(F)F
InChIInChI=1S/C9H10F2N2O2/c1-4-3-5(7(10)11)6(9(14)15-2)13-8(4)12/h3,7H,1-2H3,(H2,12,13)
InChIKeyNGENMAOULYKOBO-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.70
Rot. Bonds2

About methyl 6-amino-3-(difluoromethyl)-5-methylpyridine-2-carboxylate

methyl 6-amino-3-(difluoromethyl)-5-methylpyridine-2-carboxylate (PubChem CID 130106594) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is methyl 6-amino-3-(difluoromethyl)-5-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-3-(difluoromethyl)-5-methylpyridine-2-carboxylate
PubChem CID130106594
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Namemethyl 6-amino-3-(difluoromethyl)-5-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(N)c(C)cc1C(F)F
InChIInChI=1S/C9H10F2N2O2/c1-4-3-5(7(10)11)6(9(14)15-2)13-8(4)12/h3,7H,1-2H3,(H2,12,13)
InChIKeyNGENMAOULYKOBO-UHFFFAOYSA-N
XLogP1.70
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 130105551
methyl 6-(aminomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylate
CID 133100734
methyl 3-amino-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134685825
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
[6-amino-3-(difluoromethyl)-5-methyl-2-pyridinyl]methanol
CID 119018023
methyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate
CID 134669150
methyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate
CID 130105555
ethyl 3-(difluoromethyl)-5-methyl-6-nitropyridine-2-carboxylate
CID 133098678
methyl 5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134674308
methyl 5-(difluoromethyl)-6-methyl-3-nitropyridine-2-carboxylate
CID 133098779
methyl 3-(aminomethyl)-4-(difluoromethyl)-6-methylpyridine-2-carboxylate
CID 133098702
methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 130104314

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-3-(difluoromethyl)-5-methylpyridine-2-carboxylate?
The IUPAC name of methyl 6-amino-3-(difluoromethyl)-5-methylpyridine-2-carboxylate (CID 130106594) is methyl 6-amino-3-(difluoromethyl)-5-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 6-amino-3-(difluoromethyl)-5-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 6-amino-3-(difluoromethyl)-5-methylpyridine-2-carboxylate is COC(=O)c1nc(N)c(C)cc1C(F)F.
What is the InChIKey of methyl 6-amino-3-(difluoromethyl)-5-methylpyridine-2-carboxylate?
The InChIKey is NGENMAOULYKOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c1-4-3-5(7(10)11)6(9(14)15-2)13-8(4)12/h3,7H,1-2H3,(H2,12,13).
What are the key properties of methyl 6-amino-3-(difluoromethyl)-5-methylpyridine-2-carboxylate?
methyl 6-amino-3-(difluoromethyl)-5-methylpyridine-2-carboxylate has a molecular weight of 216.19 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-3-(difluoromethyl)-5-methylpyridine-2-carboxylate is sourced from PubChem (CID 130106594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).