methyl 1-methyl-2H-pyridine-5-carboxylate

C8H11NO2 — CID 45090135

IUPACmethyl 1-methyl-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CN(C)CC=C1
InChIInChI=1S/C8H11NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h3-4,6H,5H2,1-2H3
InChIKeyDZSFYOFARANGKU-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.54
Rot. Bonds1

About methyl 1-methyl-2H-pyridine-5-carboxylate

methyl 1-methyl-2H-pyridine-5-carboxylate (PubChem CID 45090135) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is methyl 1-methyl-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-2H-pyridine-5-carboxylate
PubChem CID45090135
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Namemethyl 1-methyl-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CN(C)CC=C1
InChIInChI=1S/C8H11NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h3-4,6H,5H2,1-2H3
InChIKeyDZSFYOFARANGKU-UHFFFAOYSA-N
XLogP0.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 1-methyl-2H-pyridine-5-carboxylate (CID 45090135) is methyl 1-methyl-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 1-methyl-2H-pyridine-5-carboxylate is COC(=O)C1=CN(C)CC=C1.
What is the InChIKey of methyl 1-methyl-2H-pyridine-5-carboxylate?
The InChIKey is DZSFYOFARANGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h3-4,6H,5H2,1-2H3.
What are the key properties of methyl 1-methyl-2H-pyridine-5-carboxylate?
methyl 1-methyl-2H-pyridine-5-carboxylate has a molecular weight of 153.18 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-2H-pyridine-5-carboxylate is sourced from PubChem (CID 45090135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).