(2,6-dimethoxy-3-pyridinyl) prop-2-enoate

C10H11NO4 — CID 174450534

IUPAC(2,6-dimethoxy-3-pyridinyl) prop-2-enoate
SMILESC=CC(=O)Oc1ccc(OC)nc1OC
InChIInChI=1S/C10H11NO4/c1-4-9(12)15-7-5-6-8(13-2)11-10(7)14-3/h4-6H,1H2,2-3H3
InChIKeyJXBUOOXMYOOPSJ-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.19
Rot. Bonds4

About (2,6-dimethoxy-3-pyridinyl) prop-2-enoate

(2,6-dimethoxy-3-pyridinyl) prop-2-enoate (PubChem CID 174450534) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is (2,6-dimethoxy-3-pyridinyl) prop-2-enoate.

Molecular Properties

Compound Name(2,6-dimethoxy-3-pyridinyl) prop-2-enoate
PubChem CID174450534
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(2,6-dimethoxy-3-pyridinyl) prop-2-enoate
SMILESC=CC(=O)Oc1ccc(OC)nc1OC
InChIInChI=1S/C10H11NO4/c1-4-9(12)15-7-5-6-8(13-2)11-10(7)14-3/h4-6H,1H2,2-3H3
InChIKeyJXBUOOXMYOOPSJ-UHFFFAOYSA-N
XLogP1.19
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (2,6-dimethoxy-3-pyridinyl) prop-2-enoate?
The IUPAC name of (2,6-dimethoxy-3-pyridinyl) prop-2-enoate (CID 174450534) is (2,6-dimethoxy-3-pyridinyl) prop-2-enoate.
What is the SMILES notation for (2,6-dimethoxy-3-pyridinyl) prop-2-enoate?
The canonical SMILES for (2,6-dimethoxy-3-pyridinyl) prop-2-enoate is C=CC(=O)Oc1ccc(OC)nc1OC.
What is the InChIKey of (2,6-dimethoxy-3-pyridinyl) prop-2-enoate?
The InChIKey is JXBUOOXMYOOPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-4-9(12)15-7-5-6-8(13-2)11-10(7)14-3/h4-6H,1H2,2-3H3.
What are the key properties of (2,6-dimethoxy-3-pyridinyl) prop-2-enoate?
(2,6-dimethoxy-3-pyridinyl) prop-2-enoate has a molecular weight of 209.20 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxy-3-pyridinyl) prop-2-enoate is sourced from PubChem (CID 174450534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).