methyl 4-amino-6-(difluoromethyl)-5-methylpyridine-2-carboxylate

C9H10F2N2O2 — CID 130106624

IUPACmethyl 4-amino-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(N)c(C)c(C(F)F)n1
InChIInChI=1S/C9H10F2N2O2/c1-4-5(12)3-6(9(14)15-2)13-7(4)8(10)11/h3,8H,1-2H3,(H2,12,13)
InChIKeyQTNGOWZZHLZBKV-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.70
Rot. Bonds2

About methyl 4-amino-6-(difluoromethyl)-5-methylpyridine-2-carboxylate

methyl 4-amino-6-(difluoromethyl)-5-methylpyridine-2-carboxylate (PubChem CID 130106624) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is methyl 4-amino-6-(difluoromethyl)-5-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
PubChem CID130106624
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Namemethyl 4-amino-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(N)c(C)c(C(F)F)n1
InChIInChI=1S/C9H10F2N2O2/c1-4-5(12)3-6(9(14)15-2)13-7(4)8(10)11/h3,8H,1-2H3,(H2,12,13)
InChIKeyQTNGOWZZHLZBKV-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-(difluoromethyl)-5-iodo-4-methylpyridine-2-carboxylate
CID 130086259
methyl 5-amino-4-cyano-6-(difluoromethyl)pyridine-2-carboxylate
CID 130103660
methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 133085156
ethyl 6-(difluoromethyl)-4-fluoro-5-methylpyridine-2-carboxylate
CID 133105058
methyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 130108323
ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 134663788
ethyl 4-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134677221
methyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate
CID 130105555
4-amino-6-(difluoromethyl)-5-methoxypyridine-2-carboxamide
CID 118801026
methyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133099003
methyl 5-(bromomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylate
CID 130087279
ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate
CID 134677164

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-(difluoromethyl)-5-methylpyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-(difluoromethyl)-5-methylpyridine-2-carboxylate (CID 130106624) is methyl 4-amino-6-(difluoromethyl)-5-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-(difluoromethyl)-5-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-(difluoromethyl)-5-methylpyridine-2-carboxylate is COC(=O)c1cc(N)c(C)c(C(F)F)n1.
What is the InChIKey of methyl 4-amino-6-(difluoromethyl)-5-methylpyridine-2-carboxylate?
The InChIKey is QTNGOWZZHLZBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c1-4-5(12)3-6(9(14)15-2)13-7(4)8(10)11/h3,8H,1-2H3,(H2,12,13).
What are the key properties of methyl 4-amino-6-(difluoromethyl)-5-methylpyridine-2-carboxylate?
methyl 4-amino-6-(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 4-amino-6-(difluoromethyl)-5-methylpyridine-2-carboxylate is sourced from PubChem (CID 130106624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).