methyl 2-[hydroxy(pyridin-3-yl)methyl]prop-2-enoate

C10H11NO3 — CID 10921383

IUPACmethyl 2-[hydroxy(pyridin-3-yl)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(O)c1cccnc1
InChIInChI=1S/C10H11NO3/c1-7(10(13)14-2)9(12)8-4-3-5-11-6-8/h3-6,9,12H,1H2,2H3
InChIKeySVGCYNLCSWXUTM-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.84
Rot. Bonds3

About methyl 2-[hydroxy(pyridin-3-yl)methyl]prop-2-enoate

methyl 2-[hydroxy(pyridin-3-yl)methyl]prop-2-enoate (PubChem CID 10921383) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 2-[hydroxy(pyridin-3-yl)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[hydroxy(pyridin-3-yl)methyl]prop-2-enoate
PubChem CID10921383
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 2-[hydroxy(pyridin-3-yl)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(O)c1cccnc1
InChIInChI=1S/C10H11NO3/c1-7(10(13)14-2)9(12)8-4-3-5-11-6-8/h3-6,9,12H,1H2,2H3
InChIKeySVGCYNLCSWXUTM-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[hydroxy(pyridin-3-yl)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[hydroxy(pyridin-3-yl)methyl]prop-2-enoate (CID 10921383) is methyl 2-[hydroxy(pyridin-3-yl)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[hydroxy(pyridin-3-yl)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[hydroxy(pyridin-3-yl)methyl]prop-2-enoate is C=C(C(=O)OC)C(O)c1cccnc1.
What is the InChIKey of methyl 2-[hydroxy(pyridin-3-yl)methyl]prop-2-enoate?
The InChIKey is SVGCYNLCSWXUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7(10(13)14-2)9(12)8-4-3-5-11-6-8/h3-6,9,12H,1H2,2H3.
What are the key properties of methyl 2-[hydroxy(pyridin-3-yl)methyl]prop-2-enoate?
methyl 2-[hydroxy(pyridin-3-yl)methyl]prop-2-enoate has a molecular weight of 193.20 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[hydroxy(pyridin-3-yl)methyl]prop-2-enoate is sourced from PubChem (CID 10921383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).