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

C11H17NO3 — CID 143512804

IUPACethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate
SMILESCC.COC(=O)c1cc(OC)ncc1C
InChIInChI=1S/C9H11NO3.C2H6/c1-6-5-10-8(12-2)4-7(6)9(11)13-3;1-2/h4-5H,1-3H3;1-2H3
InChIKeyAZKMJIPBDBEAEO-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.21
Rot. Bonds2

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

ethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate (PubChem CID 143512804) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate.

Molecular Properties

Compound Nameethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate
PubChem CID143512804
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate
SMILESCC.COC(=O)c1cc(OC)ncc1C
InChIInChI=1S/C9H11NO3.C2H6/c1-6-5-10-8(12-2)4-7(6)9(11)13-3;1-2/h4-5H,1-3H3;1-2H3
InChIKeyAZKMJIPBDBEAEO-UHFFFAOYSA-N
XLogP2.21
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 170909839
methyl 2-methoxy-5-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
CID 134636206
methyl 4-(6-methoxy-3-pyridinyl)-2-methylbenzoate
CID 18617593
2-methoxy-N-(3-methoxy-1-bicyclo[1.1.1]pentanyl)-5-methylpyridine-4-carboxamide
CID 177139003
methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate
CID 155342094
methyl 2-methoxy-5-methylpyridine-3-carboxylate
CID 22678367
methyl 2-methoxy-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylate
CID 134636667
methyl 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxypyridine-4-carboxylate
CID 166163088
methyl 2-methoxy-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134634404
2-methoxy-5-methyl-N-[1-methyl-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide
CID 177139326
bis(5-bromo-2-methoxy-4-pyridinyl)methanone
CID 145284641
nitroso 5-bromo-2-methoxypyridine-4-carboxylate
CID 175292393

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate?
The IUPAC name of ethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate (CID 143512804) is ethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate.
What is the SMILES notation for ethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate?
The canonical SMILES for ethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate is CC.COC(=O)c1cc(OC)ncc1C.
What is the InChIKey of ethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate?
The InChIKey is AZKMJIPBDBEAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3.C2H6/c1-6-5-10-8(12-2)4-7(6)9(11)13-3;1-2/h4-5H,1-3H3;1-2H3.
What are the key properties of ethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate?
ethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate is sourced from PubChem (CID 143512804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).