methyl 4-methyl-2-(oxolan-2-ylmethoxy)pyridine-3-carboxylate

C13H17NO4 — CID 131992608

IUPACmethyl 4-methyl-2-(oxolan-2-ylmethoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1c(C)ccnc1OCC1CCCO1
InChIInChI=1S/C13H17NO4/c1-9-5-6-14-12(11(9)13(15)16-2)18-8-10-4-3-7-17-10/h5-6,10H,3-4,7-8H2,1-2H3
InChIKeyURWPVNLUGZGJIT-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.73
Rot. Bonds4

About methyl 4-methyl-2-(oxolan-2-ylmethoxy)pyridine-3-carboxylate

methyl 4-methyl-2-(oxolan-2-ylmethoxy)pyridine-3-carboxylate (PubChem CID 131992608) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl 4-methyl-2-(oxolan-2-ylmethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(oxolan-2-ylmethoxy)pyridine-3-carboxylate
PubChem CID131992608
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namemethyl 4-methyl-2-(oxolan-2-ylmethoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1c(C)ccnc1OCC1CCCO1
InChIInChI=1S/C13H17NO4/c1-9-5-6-14-12(11(9)13(15)16-2)18-8-10-4-3-7-17-10/h5-6,10H,3-4,7-8H2,1-2H3
InChIKeyURWPVNLUGZGJIT-UHFFFAOYSA-N
XLogP1.73
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxycarbonylphenyl) 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 2677890
2,3-dimethyl-7-(oxolan-2-ylmethoxy)-1H-pyrrolo[2,3-c]pyridine
CID 11565020
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036
methyl 4-(oxolan-2-ylmethoxymethyl)benzoate
CID 43120523
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
N-methyl-1-(oxolan-2-ylmethoxy)isoquinolin-8-amine
CID 82572504
methyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate
CID 54816958
4-(chloromethyl)-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine
CID 105383749
N-[[2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291426
5-O-methyl 3-O-(oxolan-2-ylmethyl) 4-(2-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 22898675
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate
CID 60704497

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(oxolan-2-ylmethoxy)pyridine-3-carboxylate?
The IUPAC name of methyl 4-methyl-2-(oxolan-2-ylmethoxy)pyridine-3-carboxylate (CID 131992608) is methyl 4-methyl-2-(oxolan-2-ylmethoxy)pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-(oxolan-2-ylmethoxy)pyridine-3-carboxylate?
The canonical SMILES for methyl 4-methyl-2-(oxolan-2-ylmethoxy)pyridine-3-carboxylate is COC(=O)c1c(C)ccnc1OCC1CCCO1.
What is the InChIKey of methyl 4-methyl-2-(oxolan-2-ylmethoxy)pyridine-3-carboxylate?
The InChIKey is URWPVNLUGZGJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9-5-6-14-12(11(9)13(15)16-2)18-8-10-4-3-7-17-10/h5-6,10H,3-4,7-8H2,1-2H3.
What are the key properties of methyl 4-methyl-2-(oxolan-2-ylmethoxy)pyridine-3-carboxylate?
methyl 4-methyl-2-(oxolan-2-ylmethoxy)pyridine-3-carboxylate has a molecular weight of 251.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(oxolan-2-ylmethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 131992608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).