methyl 6-acetyl-4-methylpyridine-3-carboxylate

C10H11NO3 — CID 178165335

IUPACmethyl 6-acetyl-4-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C(C)=O)cc1C
InChIInChI=1S/C10H11NO3/c1-6-4-9(7(2)12)11-5-8(6)10(13)14-3/h4-5H,1-3H3
InChIKeyMJBSGUVXBDBPQL-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.38
Rot. Bonds2

About methyl 6-acetyl-4-methylpyridine-3-carboxylate

methyl 6-acetyl-4-methylpyridine-3-carboxylate (PubChem CID 178165335) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 6-acetyl-4-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-acetyl-4-methylpyridine-3-carboxylate
PubChem CID178165335
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 6-acetyl-4-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C(C)=O)cc1C
InChIInChI=1S/C10H11NO3/c1-6-4-9(7(2)12)11-5-8(6)10(13)14-3/h4-5H,1-3H3
InChIKeyMJBSGUVXBDBPQL-UHFFFAOYSA-N
XLogP1.38
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-cyclopropyl-4-methylpyridine-3-carboxylate
CID 172915603
methyl 4-(2-acetyl-4-pyridinyl)-5-methoxy-6-methylpyridine-3-carboxylate
CID 175549675
methyl 5-ethyl-4-methylpyridine-2-carboxylate
CID 130047128
methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate
CID 130210234
4-O-ethyl 2-O,5-O-dimethyl pyridine-2,4,5-tricarboxylate
CID 23171065
methyl 6-(5-bromo-2-fluoro-3-pyridinyl)-4-methylpyridine-3-carboxylate
CID 154848544
methyl 4-methyl-6-(2-methyl-4-pyridinyl)pyridine-3-carboxylate
CID 54544468
methyl 5-acetyl-4-hydroxy-2-methylbenzoate
CID 13227613
methyl 4-iodo-6-methylpyridine-3-carboxylate
CID 166162841
methyl 4-methylpyridine-3-carboxylate
CID 10877301
ethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate
CID 143512804
1-(4-methyl-5-nitro-2-pyridinyl)ethanone
CID 59855834

Frequently Asked Questions

What is the IUPAC name of methyl 6-acetyl-4-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-acetyl-4-methylpyridine-3-carboxylate (CID 178165335) is methyl 6-acetyl-4-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-acetyl-4-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-acetyl-4-methylpyridine-3-carboxylate is COC(=O)c1cnc(C(C)=O)cc1C.
What is the InChIKey of methyl 6-acetyl-4-methylpyridine-3-carboxylate?
The InChIKey is MJBSGUVXBDBPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6-4-9(7(2)12)11-5-8(6)10(13)14-3/h4-5H,1-3H3.
What are the key properties of methyl 6-acetyl-4-methylpyridine-3-carboxylate?
methyl 6-acetyl-4-methylpyridine-3-carboxylate has a molecular weight of 193.20 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-acetyl-4-methylpyridine-3-carboxylate is sourced from PubChem (CID 178165335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).