ethyl 4-methoxy-2-methyl-2H-pyridine-1-carboxylate

C10H15NO3 — CID 18711316

IUPACethyl 4-methoxy-2-methyl-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC(OC)=CC1C
InChIInChI=1S/C10H15NO3/c1-4-14-10(12)11-6-5-9(13-3)7-8(11)2/h5-8H,4H2,1-3H3
InChIKeyGYQIPQYDSVSUCN-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.89
Rot. Bonds2

About ethyl 4-methoxy-2-methyl-2H-pyridine-1-carboxylate

ethyl 4-methoxy-2-methyl-2H-pyridine-1-carboxylate (PubChem CID 18711316) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl 4-methoxy-2-methyl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-methoxy-2-methyl-2H-pyridine-1-carboxylate
PubChem CID18711316
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl 4-methoxy-2-methyl-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC(OC)=CC1C
InChIInChI=1S/C10H15NO3/c1-4-14-10(12)11-6-5-9(13-3)7-8(11)2/h5-8H,4H2,1-3H3
InChIKeyGYQIPQYDSVSUCN-UHFFFAOYSA-N
XLogP1.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Methoxy-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one
CID 12793535
ethenyl 2-methyl-2H-pyridine-1-carboxylate
CID 134986100
ethyl 2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 354976
prop-2-enyl 2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 13382554
ethyl 2-methyl-2H-pyridine-1-carboxylate
CID 12955680
ethyl 2-ethyl-2H-pyridine-1-carboxylate
CID 12955681
ethyl 2,4-dimethyl-2H-pyridine-1-carboxylate
CID 13415533
Tert-butyl 4-methoxy-2-methyl-1(2H)-pyridinecarboxylate
CID 14503898
1-(4-ethoxy-2-methyl-2H-pyridin-1-yl)ethanone
CID 18711295
tert-butyl 4-methoxy-2-propan-2-yl-2H-pyridine-1-carboxylate
CID 49782228
ethyl 3-methoxy-2-methyl-4H-pyridine-1-carboxylate
CID 70055835
4-methoxy-2-methyl-2H-pyridine-1-carboxylic acid
CID 91100899

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-2-methyl-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 4-methoxy-2-methyl-2H-pyridine-1-carboxylate (CID 18711316) is ethyl 4-methoxy-2-methyl-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 4-methoxy-2-methyl-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 4-methoxy-2-methyl-2H-pyridine-1-carboxylate is CCOC(=O)N1C=CC(OC)=CC1C.
What is the InChIKey of ethyl 4-methoxy-2-methyl-2H-pyridine-1-carboxylate?
The InChIKey is GYQIPQYDSVSUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-14-10(12)11-6-5-9(13-3)7-8(11)2/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 4-methoxy-2-methyl-2H-pyridine-1-carboxylate?
ethyl 4-methoxy-2-methyl-2H-pyridine-1-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-2-methyl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 18711316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).