2-chloro-5-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide

C14H12ClFN2O2 — CID 103891865

IUPAC2-chloro-5-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCCc2occc21)c1cc(F)cnc1Cl
InChIInChI=1S/C14H12ClFN2O2/c15-13-10(6-8(16)7-17-13)14(19)18-11-2-1-3-12-9(11)4-5-20-12/h4-7,11H,1-3H2,(H,18,19)
InChIKeyYKOIZHQVRWUHFA-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.27
Rot. Bonds2

About 2-chloro-5-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide

2-chloro-5-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide (PubChem CID 103891865) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide
PubChem CID103891865
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name2-chloro-5-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCCc2occc21)c1cc(F)cnc1Cl
InChIInChI=1S/C14H12ClFN2O2/c15-13-10(6-8(16)7-17-13)14(19)18-11-2-1-3-12-9(11)4-5-20-12/h4-7,11H,1-3H2,(H,18,19)
InChIKeyYKOIZHQVRWUHFA-UHFFFAOYSA-N
XLogP3.27
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.27
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-chloro-5-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide (CID 103891865) is 2-chloro-5-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide is O=C(NC1CCCc2occc21)c1cc(F)cnc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide?
The InChIKey is YKOIZHQVRWUHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c15-13-10(6-8(16)7-17-13)14(19)18-11-2-1-3-12-9(11)4-5-20-12/h4-7,11H,1-3H2,(H,18,19).
What are the key properties of 2-chloro-5-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide?
2-chloro-5-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide has a molecular weight of 294.71 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 103891865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).