methyl 2-amino-5-(difluoromethyl)-4-methylpyridine-3-carboxylate

C9H10F2N2O2 — CID 130106595

IUPACmethyl 2-amino-5-(difluoromethyl)-4-methylpyridine-3-carboxylate
SMILESCOC(=O)c1c(N)ncc(C(F)F)c1C
InChIInChI=1S/C9H10F2N2O2/c1-4-5(7(10)11)3-13-8(12)6(4)9(14)15-2/h3,7H,1-2H3,(H2,12,13)
InChIKeyBUGVTQAWAXAJHI-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.70
Rot. Bonds2

About methyl 2-amino-5-(difluoromethyl)-4-methylpyridine-3-carboxylate

methyl 2-amino-5-(difluoromethyl)-4-methylpyridine-3-carboxylate (PubChem CID 130106595) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is methyl 2-amino-5-(difluoromethyl)-4-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(difluoromethyl)-4-methylpyridine-3-carboxylate
PubChem CID130106595
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Namemethyl 2-amino-5-(difluoromethyl)-4-methylpyridine-3-carboxylate
SMILESCOC(=O)c1c(N)ncc(C(F)F)c1C
InChIInChI=1S/C9H10F2N2O2/c1-4-5(7(10)11)3-13-8(12)6(4)9(14)15-2/h3,7H,1-2H3,(H2,12,13)
InChIKeyBUGVTQAWAXAJHI-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 2-amino-5-(difluoromethyl)-3-methylpyridine-4-carboxylate
CID 130106593
methyl 2,4-diamino-5-(difluoromethyl)pyridine-3-carboxylate
CID 134683512
methyl 2-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate
CID 134661869
methyl 2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carboxylate
CID 130090206
methyl 5-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carboxylate
CID 130083999
methyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate
CID 134669150
methyl 2-amino-5-bromo-4-fluoropyridine-3-carboxylate
CID 130140440
methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 130104314
methyl 5-(difluoromethyl)-3-hydroxy-2-methoxypyridine-4-carboxylate
CID 133103370
methyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate
CID 133105275
methyl 5-(difluoromethyl)-2-fluoro-3-iodopyridine-4-carboxylate
CID 130080332
methyl 2-bromo-5-(difluoromethyl)-3-fluoropyridine-4-carboxylate
CID 130109765

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(difluoromethyl)-4-methylpyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-5-(difluoromethyl)-4-methylpyridine-3-carboxylate (CID 130106595) is methyl 2-amino-5-(difluoromethyl)-4-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(difluoromethyl)-4-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-5-(difluoromethyl)-4-methylpyridine-3-carboxylate is COC(=O)c1c(N)ncc(C(F)F)c1C.
What is the InChIKey of methyl 2-amino-5-(difluoromethyl)-4-methylpyridine-3-carboxylate?
The InChIKey is BUGVTQAWAXAJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c1-4-5(7(10)11)3-13-8(12)6(4)9(14)15-2/h3,7H,1-2H3,(H2,12,13).
What are the key properties of methyl 2-amino-5-(difluoromethyl)-4-methylpyridine-3-carboxylate?
methyl 2-amino-5-(difluoromethyl)-4-methylpyridine-3-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 2-amino-5-(difluoromethyl)-4-methylpyridine-3-carboxylate is sourced from PubChem (CID 130106595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).