ethane;methyl 3-cyano-6-methylpyridine-2-carboxylate

C11H14N2O2 — CID 142574365

IUPACethane;methyl 3-cyano-6-methylpyridine-2-carboxylate
SMILESCC.COC(=O)c1nc(C)ccc1C#N
InChIInChI=1S/C9H8N2O2.C2H6/c1-6-3-4-7(5-10)8(11-6)9(12)13-2;1-2/h3-4H,1-2H3;1-2H3
InChIKeyOSPSZCSIOQBXDM-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.07
Rot. Bonds1

About ethane;methyl 3-cyano-6-methylpyridine-2-carboxylate

ethane;methyl 3-cyano-6-methylpyridine-2-carboxylate (PubChem CID 142574365) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethane;methyl 3-cyano-6-methylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl 3-cyano-6-methylpyridine-2-carboxylate
PubChem CID142574365
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Nameethane;methyl 3-cyano-6-methylpyridine-2-carboxylate
SMILESCC.COC(=O)c1nc(C)ccc1C#N
InChIInChI=1S/C9H8N2O2.C2H6/c1-6-3-4-7(5-10)8(11-6)9(12)13-2;1-2/h3-4H,1-2H3;1-2H3
InChIKeyOSPSZCSIOQBXDM-UHFFFAOYSA-N
XLogP2.07
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(cyanomethyl)-6-methylpyridine-2-carboxylate
CID 156518639
methyl 3-cyano-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 133097035
methyl 3-cyano-4,6-dimethylpyridine-2-carboxylate
CID 130298670
N-(3-cyano-6-methyl-2-pyridinyl)acetamide
CID 130007246
2-(1-cyano-2-iminoethenyl)-6-methylpyridine-3-carbonitrile
CID 100974982
methyl 3-carboxyoxy-6-methylpyridine-2-carboxylate
CID 67797440
methyl 6-cyano-3-fluoro-2-methylbenzoate
CID 130925173
methyl 5-cyanoisoquinoline-1-carboxylate
CID 82572062
methyl 6-amino-5-cyano-3-methylpyrazine-2-carboxylate
CID 12625134
methyl 2-chloro-4-cyano-3-methylbenzoate
CID 130064485
methyl 4-cyano-3-iodo-2-methylbenzoate
CID 131168135
ethane;methyl 5-cyano-6-methylpyridine-3-carboxylate
CID 164905739

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 3-cyano-6-methylpyridine-2-carboxylate?
The IUPAC name of ethane;methyl 3-cyano-6-methylpyridine-2-carboxylate (CID 142574365) is ethane;methyl 3-cyano-6-methylpyridine-2-carboxylate.
What is the SMILES notation for ethane;methyl 3-cyano-6-methylpyridine-2-carboxylate?
The canonical SMILES for ethane;methyl 3-cyano-6-methylpyridine-2-carboxylate is CC.COC(=O)c1nc(C)ccc1C#N.
What is the InChIKey of ethane;methyl 3-cyano-6-methylpyridine-2-carboxylate?
The InChIKey is OSPSZCSIOQBXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2.C2H6/c1-6-3-4-7(5-10)8(11-6)9(12)13-2;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of ethane;methyl 3-cyano-6-methylpyridine-2-carboxylate?
ethane;methyl 3-cyano-6-methylpyridine-2-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 3-cyano-6-methylpyridine-2-carboxylate is sourced from PubChem (CID 142574365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).