methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate

C10H12F2N2O3 — CID 133085156

IUPACmethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1cc(CN)c(OC)c(C(F)F)n1
InChIInChI=1S/C10H12F2N2O3/c1-16-8-5(4-13)3-6(10(15)17-2)14-7(8)9(11)12/h3,9H,4,13H2,1-2H3
InChIKeyMUDDJHFSRZSUBV-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.27
Rot. Bonds4

About methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate

methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate (PubChem CID 133085156) has the molecular formula C10H12F2N2O3 and a molecular weight of 246.21 g/mol. Its IUPAC name is methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
PubChem CID133085156
Molecular FormulaC10H12F2N2O3
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC Namemethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1cc(CN)c(OC)c(C(F)F)n1
InChIInChI=1S/C10H12F2N2O3/c1-16-8-5(4-13)3-6(10(15)17-2)14-7(8)9(11)12/h3,9H,4,13H2,1-2H3
InChIKeyMUDDJHFSRZSUBV-UHFFFAOYSA-N
XLogP1.27
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate?
The IUPAC name of methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate (CID 133085156) is methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate?
The canonical SMILES for methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate is COC(=O)c1cc(CN)c(OC)c(C(F)F)n1.
What is the InChIKey of methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate?
The InChIKey is MUDDJHFSRZSUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3/c1-16-8-5(4-13)3-6(10(15)17-2)14-7(8)9(11)12/h3,9H,4,13H2,1-2H3.
What are the key properties of methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate?
methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate has a molecular weight of 246.21 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate is sourced from PubChem (CID 133085156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).