6-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-2-carboxamide

C14H13ClN2O2 — CID 62233683

IUPAC6-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCCc2occc21)c1cccc(Cl)n1
InChIInChI=1S/C14H13ClN2O2/c15-13-6-2-4-11(16-13)14(18)17-10-3-1-5-12-9(10)7-8-19-12/h2,4,6-8,10H,1,3,5H2,(H,17,18)
InChIKeyOOTDCSYUEKOBKP-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.14
Rot. Bonds2

About 6-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-2-carboxamide

6-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-2-carboxamide (PubChem CID 62233683) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 6-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-2-carboxamide
PubChem CID62233683
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name6-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCCc2occc21)c1cccc(Cl)n1
InChIInChI=1S/C14H13ClN2O2/c15-13-6-2-4-11(16-13)14(18)17-10-3-1-5-12-9(10)7-8-19-12/h2,4,6-8,10H,1,3,5H2,(H,17,18)
InChIKeyOOTDCSYUEKOBKP-UHFFFAOYSA-N
XLogP3.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.14
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-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-2-carboxamide (CID 62233683) is 6-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-2-carboxamide is O=C(NC1CCCc2occc21)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-2-carboxamide?
The InChIKey is OOTDCSYUEKOBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-13-6-2-4-11(16-13)14(18)17-10-3-1-5-12-9(10)7-8-19-12/h2,4,6-8,10H,1,3,5H2,(H,17,18).
What are the key properties of 6-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-2-carboxamide?
6-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-2-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 62233683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).