methyl pyridine-3-carboxylate

C7H7NO2 — CID 7151

💊View drug profile → methyl nicotinate
IUPACmethyl pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1
InChIInChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3
InChIKeyYNBADRVTZLEFNH-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.87
Rot. Bonds1

About methyl pyridine-3-carboxylate

methyl pyridine-3-carboxylate (PubChem CID 7151) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is methyl pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl pyridine-3-carboxylate
PubChem CID7151
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Namemethyl pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1
InChIInChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3
InChIKeyYNBADRVTZLEFNH-UHFFFAOYSA-N
XLogP0.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Nicotinic Acid
CID 938
Trigonelline
CID 5570
6-Chloronicotinic acid
CID 79222
Ethyl Nicotinate
CID 69188
Dipropyl isocinchomeronate
CID 8693
Benzyl Nicotinate
CID 7191
2-Butoxyethyl 3-pyridinecarboxylate
CID 14866
Oxiniacic Acid
CID 16976
2-Chloronicotinic acid
CID 76258
Hexyl nicotinate
CID 90202
2-Aminonicotinic acid
CID 72930
5-Fluoronicotinic Acid
CID 120232

Frequently Asked Questions

What is the IUPAC name of methyl pyridine-3-carboxylate?
The IUPAC name of methyl pyridine-3-carboxylate (CID 7151) is methyl pyridine-3-carboxylate.
What is the SMILES notation for methyl pyridine-3-carboxylate?
The canonical SMILES for methyl pyridine-3-carboxylate is COC(=O)c1cccnc1.
What is the InChIKey of methyl pyridine-3-carboxylate?
The InChIKey is YNBADRVTZLEFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3.
What are the key properties of methyl pyridine-3-carboxylate?
methyl pyridine-3-carboxylate has a molecular weight of 137.14 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl pyridine-3-carboxylate is sourced from PubChem (CID 7151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).