methyl 2-methoxy-5-methylpyridine-3-carboxylate

C9H11NO3 — CID 22678367

IUPACmethyl 2-methoxy-5-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C)cnc1OC
InChIInChI=1S/C9H11NO3/c1-6-4-7(9(11)13-3)8(12-2)10-5-6/h4-5H,1-3H3
InChIKeyFWBSCYBDOKZJGQ-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.19
Rot. Bonds2

About methyl 2-methoxy-5-methylpyridine-3-carboxylate

methyl 2-methoxy-5-methylpyridine-3-carboxylate (PubChem CID 22678367) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 2-methoxy-5-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-methylpyridine-3-carboxylate
PubChem CID22678367
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namemethyl 2-methoxy-5-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C)cnc1OC
InChIInChI=1S/C9H11NO3/c1-6-4-7(9(11)13-3)8(12-2)10-5-6/h4-5H,1-3H3
InChIKeyFWBSCYBDOKZJGQ-UHFFFAOYSA-N
XLogP1.19
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-methylpyridine-3-carboxamide
CID 123709075
2-chloro-5-methylpyridine-3-carboxylic acid;methyl 2-chloro-5-methylpyridine-3-carboxylate
CID 159563322
ethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate
CID 143512804
methyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate
CID 86118216
methyl 5-bromo-2-methoxy-6-methylpyridine-3-carboxylate
CID 59411423
methyl 5-[(2-cyano-2-methylpropanoyl)amino]-2-methoxypyridine-3-carboxylate
CID 100784803
3-(5-bromo-2-methoxy-3-pyridinyl)-3-oxopropanenitrile;methyl 5-bromo-2-methoxypyridine-3-carboxylate
CID 158631727
amino 5-tert-butyl-2-methoxypyridine-3-carboxylate
CID 177260803
methyl 2-methoxy-5-(morpholin-4-ylmethyl)pyridine-3-carboxylate
CID 67106461
(5-ethoxycarbonyl-6-methoxy-3-pyridinyl)boronic acid
CID 170902896
methyl 5-bromo-13-methoxy-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-10-carboxylate
CID 122687032
(2-methoxy-5-methyl-3-pyridinyl)astatine
CID 143027956

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-methylpyridine-3-carboxylate?
The IUPAC name of methyl 2-methoxy-5-methylpyridine-3-carboxylate (CID 22678367) is methyl 2-methoxy-5-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methoxy-5-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-methoxy-5-methylpyridine-3-carboxylate is COC(=O)c1cc(C)cnc1OC.
What is the InChIKey of methyl 2-methoxy-5-methylpyridine-3-carboxylate?
The InChIKey is FWBSCYBDOKZJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-4-7(9(11)13-3)8(12-2)10-5-6/h4-5H,1-3H3.
What are the key properties of methyl 2-methoxy-5-methylpyridine-3-carboxylate?
methyl 2-methoxy-5-methylpyridine-3-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-methylpyridine-3-carboxylate is sourced from PubChem (CID 22678367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).