methyl 5-cyano-6-methoxy-2-methylpyridine-3-carboxylate

C10H10N2O3 — CID 1471655

IUPACmethyl 5-cyano-6-methoxy-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C#N)c(OC)nc1C
InChIInChI=1S/C10H10N2O3/c1-6-8(10(13)15-3)4-7(5-11)9(12-6)14-2/h4H,1-3H3
InChIKeyRHBGADHPORZASS-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.06
Rot. Bonds2

About methyl 5-cyano-6-methoxy-2-methylpyridine-3-carboxylate

methyl 5-cyano-6-methoxy-2-methylpyridine-3-carboxylate (PubChem CID 1471655) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 5-cyano-6-methoxy-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyano-6-methoxy-2-methylpyridine-3-carboxylate
PubChem CID1471655
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Namemethyl 5-cyano-6-methoxy-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C#N)c(OC)nc1C
InChIInChI=1S/C10H10N2O3/c1-6-8(10(13)15-3)4-7(5-11)9(12-6)14-2/h4H,1-3H3
InChIKeyRHBGADHPORZASS-UHFFFAOYSA-N
XLogP1.06
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyano-6-methoxy-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 5-cyano-6-methoxy-2-methylpyridine-3-carboxylate (CID 1471655) is methyl 5-cyano-6-methoxy-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 5-cyano-6-methoxy-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 5-cyano-6-methoxy-2-methylpyridine-3-carboxylate is COC(=O)c1cc(C#N)c(OC)nc1C.
What is the InChIKey of methyl 5-cyano-6-methoxy-2-methylpyridine-3-carboxylate?
The InChIKey is RHBGADHPORZASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-6-8(10(13)15-3)4-7(5-11)9(12-6)14-2/h4H,1-3H3.
What are the key properties of methyl 5-cyano-6-methoxy-2-methylpyridine-3-carboxylate?
methyl 5-cyano-6-methoxy-2-methylpyridine-3-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyano-6-methoxy-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 1471655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).