methyl 6-aminopyridine-3-carboxylate

C7H8N2O2 — CID 737487

IUPACmethyl 6-aminopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N)nc1
InChIInChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-6(8)9-4-5/h2-4H,1H3,(H2,8,9)
InChIKeyJACPDLJUQLKABC-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.45
Rot. Bonds1

About methyl 6-aminopyridine-3-carboxylate

methyl 6-aminopyridine-3-carboxylate (PubChem CID 737487) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is methyl 6-aminopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-aminopyridine-3-carboxylate
PubChem CID737487
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Namemethyl 6-aminopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N)nc1
InChIInChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-6(8)9-4-5/h2-4H,1H3,(H2,8,9)
InChIKeyJACPDLJUQLKABC-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 6-aminopyridine-3-carboxylate?
The IUPAC name of methyl 6-aminopyridine-3-carboxylate (CID 737487) is methyl 6-aminopyridine-3-carboxylate.
What is the SMILES notation for methyl 6-aminopyridine-3-carboxylate?
The canonical SMILES for methyl 6-aminopyridine-3-carboxylate is COC(=O)c1ccc(N)nc1.
What is the InChIKey of methyl 6-aminopyridine-3-carboxylate?
The InChIKey is JACPDLJUQLKABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-6(8)9-4-5/h2-4H,1H3,(H2,8,9).
What are the key properties of methyl 6-aminopyridine-3-carboxylate?
methyl 6-aminopyridine-3-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 6-aminopyridine-3-carboxylate is sourced from PubChem (CID 737487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).