methyl 4-cyano-3-prop-1-en-2-ylpyridine-2-carboxylate

C11H10N2O2 — CID 164587270

IUPACmethyl 4-cyano-3-prop-1-en-2-ylpyridine-2-carboxylate
SMILESC=C(C)c1c(C#N)ccnc1C(=O)OC
InChIInChI=1S/C11H10N2O2/c1-7(2)9-8(6-12)4-5-13-10(9)11(14)15-3/h4-5H,1H2,2-3H3
InChIKeyMLUUYPHYYZULDB-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.77
Rot. Bonds2

About methyl 4-cyano-3-prop-1-en-2-ylpyridine-2-carboxylate

methyl 4-cyano-3-prop-1-en-2-ylpyridine-2-carboxylate (PubChem CID 164587270) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 4-cyano-3-prop-1-en-2-ylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyano-3-prop-1-en-2-ylpyridine-2-carboxylate
PubChem CID164587270
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Namemethyl 4-cyano-3-prop-1-en-2-ylpyridine-2-carboxylate
SMILESC=C(C)c1c(C#N)ccnc1C(=O)OC
InChIInChI=1S/C11H10N2O2/c1-7(2)9-8(6-12)4-5-13-10(9)11(14)15-3/h4-5H,1H2,2-3H3
InChIKeyMLUUYPHYYZULDB-UHFFFAOYSA-N
XLogP1.77
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-chloro-4-cyanopyridine-3-carboxylate
CID 58317566
methyl 2-amino-4-cyanopyridine-3-carboxylate
CID 130777636
methyl 5-cyanoisoquinoline-1-carboxylate
CID 82572062
methyl 3-prop-1-en-2-ylpyrazine-2-carboxylate
CID 167450839
ethane;methyl 3-cyano-6-methylpyridine-2-carboxylate
CID 142574365
3-cyano-2-methoxycarbonylbenzoic acid
CID 91882336
tert-butyl 2-amino-4-cyanopyridine-3-carboxylate
CID 57364515
methyl 4-amino-2-cyanopyridine-3-carboxylate
CID 130935671
methyl 7-cyanoisoquinoline-8-carboxylate
CID 154280652
methyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate
CID 11528794
methyl 3-fluoro-4-methylpyridine-2-carboxylate
CID 130618402
methyl 6-cyano-3-formyl-2-hydroxybenzoate
CID 131610965

Frequently Asked Questions

What is the IUPAC name of methyl 4-cyano-3-prop-1-en-2-ylpyridine-2-carboxylate?
The IUPAC name of methyl 4-cyano-3-prop-1-en-2-ylpyridine-2-carboxylate (CID 164587270) is methyl 4-cyano-3-prop-1-en-2-ylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-cyano-3-prop-1-en-2-ylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-cyano-3-prop-1-en-2-ylpyridine-2-carboxylate is C=C(C)c1c(C#N)ccnc1C(=O)OC.
What is the InChIKey of methyl 4-cyano-3-prop-1-en-2-ylpyridine-2-carboxylate?
The InChIKey is MLUUYPHYYZULDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7(2)9-8(6-12)4-5-13-10(9)11(14)15-3/h4-5H,1H2,2-3H3.
What are the key properties of methyl 4-cyano-3-prop-1-en-2-ylpyridine-2-carboxylate?
methyl 4-cyano-3-prop-1-en-2-ylpyridine-2-carboxylate has a molecular weight of 202.21 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyano-3-prop-1-en-2-ylpyridine-2-carboxylate is sourced from PubChem (CID 164587270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).