methyl 5-(3-cyanoprop-1-enyl)pyridine-2-carboxylate

C11H10N2O2 — CID 170800108

IUPACmethyl 5-(3-cyanoprop-1-enyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C=CCC#N)cn1
InChIInChI=1S/C11H10N2O2/c1-15-11(14)10-6-5-9(8-13-10)4-2-3-7-12/h2,4-6,8H,3H2,1H3
InChIKeyIZVIOOXHCFBGQH-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.80
Rot. Bonds3

About methyl 5-(3-cyanoprop-1-enyl)pyridine-2-carboxylate

methyl 5-(3-cyanoprop-1-enyl)pyridine-2-carboxylate (PubChem CID 170800108) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 5-(3-cyanoprop-1-enyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-cyanoprop-1-enyl)pyridine-2-carboxylate
PubChem CID170800108
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Namemethyl 5-(3-cyanoprop-1-enyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C=CCC#N)cn1
InChIInChI=1S/C11H10N2O2/c1-15-11(14)10-6-5-9(8-13-10)4-2-3-7-12/h2,4-6,8H,3H2,1H3
InChIKeyIZVIOOXHCFBGQH-UHFFFAOYSA-N
XLogP1.80
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(3-ethoxy-3-oxoprop-1-enyl)pyridine-2-carboxylate
CID 169480662
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]pyridine-2-carboxylate
CID 169472039
methyl 6-chloro-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylate
CID 170800321
methyl 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylate
CID 170800288
methyl 4-(3-cyanoprop-1-enyl)-3-methoxybenzoate
CID 170800542
4-(6-acetyl-3-pyridinyl)but-3-enal
CID 170481951
carbon dioxide;methyl 5-methylpyridine-2-carboxylate
CID 157165111
methyl 5-(hydroxymethyl)pyridine-2-carboxylate
CID 18974051
methyl 4-(3-cyanoprop-1-enyl)-3-methylbenzoate
CID 170800226
methyl 5-bromopyridine-2-carboxylate
CID 7016458
methyl 5-chloropyridine-2-carboxylate
CID 11298216

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-cyanoprop-1-enyl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(3-cyanoprop-1-enyl)pyridine-2-carboxylate (CID 170800108) is methyl 5-(3-cyanoprop-1-enyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(3-cyanoprop-1-enyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(3-cyanoprop-1-enyl)pyridine-2-carboxylate is COC(=O)c1ccc(C=CCC#N)cn1.
What is the InChIKey of methyl 5-(3-cyanoprop-1-enyl)pyridine-2-carboxylate?
The InChIKey is IZVIOOXHCFBGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-11(14)10-6-5-9(8-13-10)4-2-3-7-12/h2,4-6,8H,3H2,1H3.
What are the key properties of methyl 5-(3-cyanoprop-1-enyl)pyridine-2-carboxylate?
methyl 5-(3-cyanoprop-1-enyl)pyridine-2-carboxylate has a molecular weight of 202.21 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-cyanoprop-1-enyl)pyridine-2-carboxylate is sourced from PubChem (CID 170800108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).