6-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide

C11H9ClN2O2 — CID 2090615

IUPAC6-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(Cl)nc1
InChIInChI=1S/C11H9ClN2O2/c12-10-4-3-8(6-13-10)11(15)14-7-9-2-1-5-16-9/h1-6H,7H2,(H,14,15)
InChIKeyYXLWMMZQKYJVPV-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.26
Rot. Bonds3

About 6-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide

6-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 2090615) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 6-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID2090615
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name6-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(Cl)nc1
InChIInChI=1S/C11H9ClN2O2/c12-10-4-3-8(6-13-10)11(15)14-7-9-2-1-5-16-9/h1-6H,7H2,(H,14,15)
InChIKeyYXLWMMZQKYJVPV-UHFFFAOYSA-N
XLogP2.26
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.26
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 6-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide (CID 2090615) is 6-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccco1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is YXLWMMZQKYJVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-10-4-3-8(6-13-10)11(15)14-7-9-2-1-5-16-9/h1-6H,7H2,(H,14,15).
What are the key properties of 6-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
6-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 236.66 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2090615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).