ethyl 3-methoxy-5-methylpyridine-4-carboxylate

C10H13NO3 — CID 171030458

IUPACethyl 3-methoxy-5-methylpyridine-4-carboxylate
SMILESCCOC(=O)c1c(C)cncc1OC
InChIInChI=1S/C10H13NO3/c1-4-14-10(12)9-7(2)5-11-6-8(9)13-3/h5-6H,4H2,1-3H3
InChIKeyGZNNJIOMUSKICY-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.58
Rot. Bonds3

About ethyl 3-methoxy-5-methylpyridine-4-carboxylate

ethyl 3-methoxy-5-methylpyridine-4-carboxylate (PubChem CID 171030458) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 3-methoxy-5-methylpyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methoxy-5-methylpyridine-4-carboxylate
PubChem CID171030458
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Nameethyl 3-methoxy-5-methylpyridine-4-carboxylate
SMILESCCOC(=O)c1c(C)cncc1OC
InChIInChI=1S/C10H13NO3/c1-4-14-10(12)9-7(2)5-11-6-8(9)13-3/h5-6H,4H2,1-3H3
InChIKeyGZNNJIOMUSKICY-UHFFFAOYSA-N
XLogP1.58
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-hydroxy-5-methylpyridine-4-carboxylate
CID 131216125
ethyl 4-methoxy-5-methylpyridine-3-carboxylate
CID 133096766
ethyl 4-formyl-2-methoxy-6-methylbenzoate
CID 171024646
ethyl 4-iodo-2,6-dimethoxybenzoate
CID 22933011
ethyl 4-fluoro-5-methylpyridine-3-carboxylate
CID 130953044
1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate
CID 11402920
ethyl 2-bromo-4-methoxypyridine-3-carboxylate
CID 90167118
ethyl 3-hydroxy-5-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 134665109
ethyl 3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylate
CID 133098582
ethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate
CID 22557861
ethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylbenzoate
CID 14570140
ethyl 3-iodo-4,6-dimethoxy-2-methylbenzoate
CID 10871806

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methoxy-5-methylpyridine-4-carboxylate?
The IUPAC name of ethyl 3-methoxy-5-methylpyridine-4-carboxylate (CID 171030458) is ethyl 3-methoxy-5-methylpyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-methoxy-5-methylpyridine-4-carboxylate?
The canonical SMILES for ethyl 3-methoxy-5-methylpyridine-4-carboxylate is CCOC(=O)c1c(C)cncc1OC.
What is the InChIKey of ethyl 3-methoxy-5-methylpyridine-4-carboxylate?
The InChIKey is GZNNJIOMUSKICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-4-14-10(12)9-7(2)5-11-6-8(9)13-3/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 3-methoxy-5-methylpyridine-4-carboxylate?
ethyl 3-methoxy-5-methylpyridine-4-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methoxy-5-methylpyridine-4-carboxylate is sourced from PubChem (CID 171030458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).