methyl 2-methoxypyridine-4-carboxylate

C8H9NO3 — CID 14223465

IUPACmethyl 2-methoxypyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(OC)c1
InChIInChI=1S/C8H9NO3/c1-11-7-5-6(3-4-9-7)8(10)12-2/h3-5H,1-2H3
InChIKeyKVFSHVOCUQNUNV-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.88
Rot. Bonds2

About methyl 2-methoxypyridine-4-carboxylate

methyl 2-methoxypyridine-4-carboxylate (PubChem CID 14223465) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is methyl 2-methoxypyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxypyridine-4-carboxylate
PubChem CID14223465
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Namemethyl 2-methoxypyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(OC)c1
InChIInChI=1S/C8H9NO3/c1-11-7-5-6(3-4-9-7)8(10)12-2/h3-5H,1-2H3
InChIKeyKVFSHVOCUQNUNV-UHFFFAOYSA-N
XLogP0.88
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxypyridine-4-carboxylate?
The IUPAC name of methyl 2-methoxypyridine-4-carboxylate (CID 14223465) is methyl 2-methoxypyridine-4-carboxylate.
What is the SMILES notation for methyl 2-methoxypyridine-4-carboxylate?
The canonical SMILES for methyl 2-methoxypyridine-4-carboxylate is COC(=O)c1ccnc(OC)c1.
What is the InChIKey of methyl 2-methoxypyridine-4-carboxylate?
The InChIKey is KVFSHVOCUQNUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-11-7-5-6(3-4-9-7)8(10)12-2/h3-5H,1-2H3.
What are the key properties of methyl 2-methoxypyridine-4-carboxylate?
methyl 2-methoxypyridine-4-carboxylate has a molecular weight of 167.16 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxypyridine-4-carboxylate is sourced from PubChem (CID 14223465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).