methyl 3-amino-5-methylpyridine-4-carboxylate

C8H10N2O2 — CID 122235265

IUPACmethyl 3-amino-5-methylpyridine-4-carboxylate
SMILESCOC(=O)c1c(C)cncc1N
InChIInChI=1S/C8H10N2O2/c1-5-3-10-4-6(9)7(5)8(11)12-2/h3-4H,9H2,1-2H3
InChIKeySKLATCNQJODVHO-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.76
Rot. Bonds1

About methyl 3-amino-5-methylpyridine-4-carboxylate

methyl 3-amino-5-methylpyridine-4-carboxylate (PubChem CID 122235265) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is methyl 3-amino-5-methylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-methylpyridine-4-carboxylate
PubChem CID122235265
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Namemethyl 3-amino-5-methylpyridine-4-carboxylate
SMILESCOC(=O)c1c(C)cncc1N
InChIInChI=1S/C8H10N2O2/c1-5-3-10-4-6(9)7(5)8(11)12-2/h3-4H,9H2,1-2H3
InChIKeySKLATCNQJODVHO-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 3-amino-5-methylpyridine-4-carboxylate?
The IUPAC name of methyl 3-amino-5-methylpyridine-4-carboxylate (CID 122235265) is methyl 3-amino-5-methylpyridine-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-methylpyridine-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-methylpyridine-4-carboxylate is COC(=O)c1c(C)cncc1N.
What is the InChIKey of methyl 3-amino-5-methylpyridine-4-carboxylate?
The InChIKey is SKLATCNQJODVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5-3-10-4-6(9)7(5)8(11)12-2/h3-4H,9H2,1-2H3.
What are the key properties of methyl 3-amino-5-methylpyridine-4-carboxylate?
methyl 3-amino-5-methylpyridine-4-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 3-amino-5-methylpyridine-4-carboxylate is sourced from PubChem (CID 122235265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).