methyl 6-(3-hydroxyprop-1-enyl)pyridine-2-carboxylate

C10H11NO3 — CID 169453691

IUPACmethyl 6-(3-hydroxyprop-1-enyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C=CCO)n1
InChIInChI=1S/C10H11NO3/c1-14-10(13)9-6-2-4-8(11-9)5-3-7-12/h2-6,12H,7H2,1H3
InChIKeyZANAAALNHHJDGV-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.87
Rot. Bonds3

About methyl 6-(3-hydroxyprop-1-enyl)pyridine-2-carboxylate

methyl 6-(3-hydroxyprop-1-enyl)pyridine-2-carboxylate (PubChem CID 169453691) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 6-(3-hydroxyprop-1-enyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-hydroxyprop-1-enyl)pyridine-2-carboxylate
PubChem CID169453691
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 6-(3-hydroxyprop-1-enyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C=CCO)n1
InChIInChI=1S/C10H11NO3/c1-14-10(13)9-6-2-4-8(11-9)5-3-7-12/h2-6,12H,7H2,1H3
InChIKeyZANAAALNHHJDGV-UHFFFAOYSA-N
XLogP0.87
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-hydroxyprop-1-enyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(3-hydroxyprop-1-enyl)pyridine-2-carboxylate (CID 169453691) is methyl 6-(3-hydroxyprop-1-enyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(3-hydroxyprop-1-enyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(3-hydroxyprop-1-enyl)pyridine-2-carboxylate is COC(=O)c1cccc(C=CCO)n1.
What is the InChIKey of methyl 6-(3-hydroxyprop-1-enyl)pyridine-2-carboxylate?
The InChIKey is ZANAAALNHHJDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-14-10(13)9-6-2-4-8(11-9)5-3-7-12/h2-6,12H,7H2,1H3.
What are the key properties of methyl 6-(3-hydroxyprop-1-enyl)pyridine-2-carboxylate?
methyl 6-(3-hydroxyprop-1-enyl)pyridine-2-carboxylate has a molecular weight of 193.20 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-hydroxyprop-1-enyl)pyridine-2-carboxylate is sourced from PubChem (CID 169453691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).