methyl 4-methoxy-5-methylpyridine-2-carboxylate

C9H11NO3 — CID 130047130

IUPACmethyl 4-methoxy-5-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(OC)c(C)cn1
InChIInChI=1S/C9H11NO3/c1-6-5-10-7(9(11)13-3)4-8(6)12-2/h4-5H,1-3H3
InChIKeySYSYNCTXLYBABX-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.19
Rot. Bonds2

About methyl 4-methoxy-5-methylpyridine-2-carboxylate

methyl 4-methoxy-5-methylpyridine-2-carboxylate (PubChem CID 130047130) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 4-methoxy-5-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-5-methylpyridine-2-carboxylate
PubChem CID130047130
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namemethyl 4-methoxy-5-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(OC)c(C)cn1
InChIInChI=1S/C9H11NO3/c1-6-5-10-7(9(11)13-3)4-8(6)12-2/h4-5H,1-3H3
InChIKeySYSYNCTXLYBABX-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

2,3-Dimethyl 2,3-pyridinedicarboxylate
CID 69058
3-(4-Methoxyphenyl)-1-(2-pyridinyl)-2-propen-1-one
CID 6035979
4-(Trifluoromethoxy)pyridine-2-carboxylic acid
CID 86276825
4-Methoxypyridine-2-carboxylic acid
CID 2050099
Methyl 5-ethynylpyridine-2-carboxylate
CID 568567
Methyl 4-methoxypyridine-2-carboxylate
CID 1519345
Methyl 3-methylpyridine-2-carboxylate
CID 12264487
Methyl 5-cyanopyridine-2-carboxylate
CID 45082467
[4-(2,2-Dicyanoethenyl)phenyl] pyridine-2-carboxylate
CID 2312290
[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl] pyridine-2-carboxylate
CID 6521139
Ethyl 4-[(6-methyl-3-pyridinyl)oxymethyl]benzoate
CID 44522609
(4-Methoxycarbonylphenyl) pyridine-2-carboxylate
CID 2677992

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-5-methylpyridine-2-carboxylate?
The IUPAC name of methyl 4-methoxy-5-methylpyridine-2-carboxylate (CID 130047130) is methyl 4-methoxy-5-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-5-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-5-methylpyridine-2-carboxylate is COC(=O)c1cc(OC)c(C)cn1.
What is the InChIKey of methyl 4-methoxy-5-methylpyridine-2-carboxylate?
The InChIKey is SYSYNCTXLYBABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-5-10-7(9(11)13-3)4-8(6)12-2/h4-5H,1-3H3.
What are the key properties of methyl 4-methoxy-5-methylpyridine-2-carboxylate?
methyl 4-methoxy-5-methylpyridine-2-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 4-methoxy-5-methylpyridine-2-carboxylate is sourced from PubChem (CID 130047130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).