4-[2-[(2-chloro-3-pyridinyl)oxy]acetyl]-5-methylfuran-2-carboxamide

C13H11ClN2O4 — CID 75373014

IUPAC4-[2-[(2-chloro-3-pyridinyl)oxy]acetyl]-5-methylfuran-2-carboxamide
SMILESCc1oc(C(N)=O)cc1C(=O)COc1cccnc1Cl
InChIInChI=1S/C13H11ClN2O4/c1-7-8(5-11(20-7)13(15)18)9(17)6-19-10-3-2-4-16-12(10)14/h2-5H,6H2,1H3,(H2,15,18)
InChIKeyRDOXENRIGINDJB-UHFFFAOYSA-N
MW294.69 g/mol
LogP2.00
Rot. Bonds5

About 4-[2-[(2-chloro-3-pyridinyl)oxy]acetyl]-5-methylfuran-2-carboxamide

4-[2-[(2-chloro-3-pyridinyl)oxy]acetyl]-5-methylfuran-2-carboxamide (PubChem CID 75373014) has the molecular formula C13H11ClN2O4 and a molecular weight of 294.69 g/mol. Its IUPAC name is 4-[2-[(2-chloro-3-pyridinyl)oxy]acetyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound Name4-[2-[(2-chloro-3-pyridinyl)oxy]acetyl]-5-methylfuran-2-carboxamide
PubChem CID75373014
Molecular FormulaC13H11ClN2O4
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name4-[2-[(2-chloro-3-pyridinyl)oxy]acetyl]-5-methylfuran-2-carboxamide
SMILESCc1oc(C(N)=O)cc1C(=O)COc1cccnc1Cl
InChIInChI=1S/C13H11ClN2O4/c1-7-8(5-11(20-7)13(15)18)9(17)6-19-10-3-2-4-16-12(10)14/h2-5H,6H2,1H3,(H2,15,18)
InChIKeyRDOXENRIGINDJB-UHFFFAOYSA-N
XLogP2.00
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-chloro-3-pyridinyl)oxy]acetyl]-5-methylfuran-2-carboxamide?
The IUPAC name of 4-[2-[(2-chloro-3-pyridinyl)oxy]acetyl]-5-methylfuran-2-carboxamide (CID 75373014) is 4-[2-[(2-chloro-3-pyridinyl)oxy]acetyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for 4-[2-[(2-chloro-3-pyridinyl)oxy]acetyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for 4-[2-[(2-chloro-3-pyridinyl)oxy]acetyl]-5-methylfuran-2-carboxamide is Cc1oc(C(N)=O)cc1C(=O)COc1cccnc1Cl.
What is the InChIKey of 4-[2-[(2-chloro-3-pyridinyl)oxy]acetyl]-5-methylfuran-2-carboxamide?
The InChIKey is RDOXENRIGINDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4/c1-7-8(5-11(20-7)13(15)18)9(17)6-19-10-3-2-4-16-12(10)14/h2-5H,6H2,1H3,(H2,15,18).
What are the key properties of 4-[2-[(2-chloro-3-pyridinyl)oxy]acetyl]-5-methylfuran-2-carboxamide?
4-[2-[(2-chloro-3-pyridinyl)oxy]acetyl]-5-methylfuran-2-carboxamide has a molecular weight of 294.69 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-chloro-3-pyridinyl)oxy]acetyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 75373014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).