2,6-dichloro-N-(furan-2-ylmethyl)pyridine-4-carboxamide

C11H8Cl2N2O2 — CID 9167591

IUPAC2,6-dichloro-N-(furan-2-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1ccco1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H8Cl2N2O2/c12-9-4-7(5-10(13)15-9)11(16)14-6-8-2-1-3-17-8/h1-5H,6H2,(H,14,16)
InChIKeyMMCREJRYHQJUGH-UHFFFAOYSA-N
MW271.10 g/mol
LogP2.91
Rot. Bonds3

About 2,6-dichloro-N-(furan-2-ylmethyl)pyridine-4-carboxamide

2,6-dichloro-N-(furan-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 9167591) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is 2,6-dichloro-N-(furan-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(furan-2-ylmethyl)pyridine-4-carboxamide
PubChem CID9167591
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Name2,6-dichloro-N-(furan-2-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1ccco1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H8Cl2N2O2/c12-9-4-7(5-10(13)15-9)11(16)14-6-8-2-1-3-17-8/h1-5H,6H2,(H,14,16)
InChIKeyMMCREJRYHQJUGH-UHFFFAOYSA-N
XLogP2.91
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,6-dichloro-N-(furan-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(furan-2-ylmethyl)pyridine-4-carboxamide (CID 9167591) is 2,6-dichloro-N-(furan-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(furan-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(furan-2-ylmethyl)pyridine-4-carboxamide is O=C(NCc1ccco1)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(furan-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is MMCREJRYHQJUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c12-9-4-7(5-10(13)15-9)11(16)14-6-8-2-1-3-17-8/h1-5H,6H2,(H,14,16).
What are the key properties of 2,6-dichloro-N-(furan-2-ylmethyl)pyridine-4-carboxamide?
2,6-dichloro-N-(furan-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 271.10 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(furan-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 9167591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).