methyl 3-aminopyridine-4-carboxylate

C7H8N2O2 — CID 1488824

IUPACmethyl 3-aminopyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1N
InChIInChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,8H2,1H3
InChIKeyXLQIGLBALJNHKR-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.45
Rot. Bonds1

About methyl 3-aminopyridine-4-carboxylate

methyl 3-aminopyridine-4-carboxylate (PubChem CID 1488824) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is methyl 3-aminopyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-aminopyridine-4-carboxylate
PubChem CID1488824
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Namemethyl 3-aminopyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1N
InChIInChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,8H2,1H3
InChIKeyXLQIGLBALJNHKR-UHFFFAOYSA-N
XLogP0.45
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-aminopyridine-4-carboxylate?
The IUPAC name of methyl 3-aminopyridine-4-carboxylate (CID 1488824) is methyl 3-aminopyridine-4-carboxylate.
What is the SMILES notation for methyl 3-aminopyridine-4-carboxylate?
The canonical SMILES for methyl 3-aminopyridine-4-carboxylate is COC(=O)c1ccncc1N.
What is the InChIKey of methyl 3-aminopyridine-4-carboxylate?
The InChIKey is XLQIGLBALJNHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,8H2,1H3.
What are the key properties of methyl 3-aminopyridine-4-carboxylate?
methyl 3-aminopyridine-4-carboxylate has a molecular weight of 152.15 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-aminopyridine-4-carboxylate is sourced from PubChem (CID 1488824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).