methyl 5-amino-4-methylpyridine-2-carboxylate

C8H10N2O2 — CID 69199253

IUPACmethyl 5-amino-4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)c(N)cn1
InChIInChI=1S/C8H10N2O2/c1-5-3-7(8(11)12-2)10-4-6(5)9/h3-4H,9H2,1-2H3
InChIKeyUBFHIKCAHDQBAC-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.76
Rot. Bonds1

About methyl 5-amino-4-methylpyridine-2-carboxylate

methyl 5-amino-4-methylpyridine-2-carboxylate (PubChem CID 69199253) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is methyl 5-amino-4-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-4-methylpyridine-2-carboxylate
PubChem CID69199253
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Namemethyl 5-amino-4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)c(N)cn1
InChIInChI=1S/C8H10N2O2/c1-5-3-7(8(11)12-2)10-4-6(5)9/h3-4H,9H2,1-2H3
InChIKeyUBFHIKCAHDQBAC-UHFFFAOYSA-N
XLogP0.76
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-4-methylpyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-4-methylpyridine-2-carboxylate (CID 69199253) is methyl 5-amino-4-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-4-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-4-methylpyridine-2-carboxylate is COC(=O)c1cc(C)c(N)cn1.
What is the InChIKey of methyl 5-amino-4-methylpyridine-2-carboxylate?
The InChIKey is UBFHIKCAHDQBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5-3-7(8(11)12-2)10-4-6(5)9/h3-4H,9H2,1-2H3.
What are the key properties of methyl 5-amino-4-methylpyridine-2-carboxylate?
methyl 5-amino-4-methylpyridine-2-carboxylate has a molecular weight of 166.18 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-4-methylpyridine-2-carboxylate is sourced from PubChem (CID 69199253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).