methyl 6-cyano-2-methoxypyridine-3-carboxylate

C9H8N2O3 — CID 131010870

IUPACmethyl 6-cyano-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C#N)nc1OC
InChIInChI=1S/C9H8N2O3/c1-13-8-7(9(12)14-2)4-3-6(5-10)11-8/h3-4H,1-2H3
InChIKeyIPSVINBSQOYNSV-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.75
Rot. Bonds2

About methyl 6-cyano-2-methoxypyridine-3-carboxylate

methyl 6-cyano-2-methoxypyridine-3-carboxylate (PubChem CID 131010870) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is methyl 6-cyano-2-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-cyano-2-methoxypyridine-3-carboxylate
PubChem CID131010870
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Namemethyl 6-cyano-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C#N)nc1OC
InChIInChI=1S/C9H8N2O3/c1-13-8-7(9(12)14-2)4-3-6(5-10)11-8/h3-4H,1-2H3
InChIKeyIPSVINBSQOYNSV-UHFFFAOYSA-N
XLogP0.75
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
methyl 4-cyano-2-(difluoromethyl)-3-methylbenzoate
CID 134646983
ethyl 6-cyano-2-ethylpyridine-3-carboxylate
CID 141150899
methyl 2-cyano-3,4-dimethoxybenzoate
CID 134647076
6-methoxy-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096340
6-cyano-3-methoxypyridine-2-carbonyl chloride
CID 131090812
methyl 3-cyano-2-fluoro-4-methoxybenzoate
CID 134647147
methyl 6-amino-2-methoxypyridine-3-carboxylate;methyl 2-methoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
CID 162052936
dimethyl 2-cyanobenzene-1,4-dicarboxylate
CID 604834
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
methyl 3-cyano-2-(difluoromethyl)-4-iodobenzoate
CID 131321771
methyl 5-cyano-8-methoxynaphthalene-1-carboxylate
CID 70552913

Frequently Asked Questions

What is the IUPAC name of methyl 6-cyano-2-methoxypyridine-3-carboxylate?
The IUPAC name of methyl 6-cyano-2-methoxypyridine-3-carboxylate (CID 131010870) is methyl 6-cyano-2-methoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 6-cyano-2-methoxypyridine-3-carboxylate?
The canonical SMILES for methyl 6-cyano-2-methoxypyridine-3-carboxylate is COC(=O)c1ccc(C#N)nc1OC.
What is the InChIKey of methyl 6-cyano-2-methoxypyridine-3-carboxylate?
The InChIKey is IPSVINBSQOYNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-13-8-7(9(12)14-2)4-3-6(5-10)11-8/h3-4H,1-2H3.
What are the key properties of methyl 6-cyano-2-methoxypyridine-3-carboxylate?
methyl 6-cyano-2-methoxypyridine-3-carboxylate has a molecular weight of 192.17 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-cyano-2-methoxypyridine-3-carboxylate is sourced from PubChem (CID 131010870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).