N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide

C15H9FN2O3 — CID 103789742

IUPACN-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide
SMILESO=C(Nc1ccc(F)nc1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C15H9FN2O3/c16-14-6-5-9(8-17-14)18-15(20)13-7-11(19)10-3-1-2-4-12(10)21-13/h1-8H,(H,18,20)
InChIKeyXNJKKTBJRDRMCX-UHFFFAOYSA-N
MW284.25 g/mol
LogP2.58
Rot. Bonds2

About N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide

N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide (PubChem CID 103789742) has the molecular formula C15H9FN2O3 and a molecular weight of 284.25 g/mol. Its IUPAC name is N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide
PubChem CID103789742
Molecular FormulaC15H9FN2O3
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC NameN-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide
SMILESO=C(Nc1ccc(F)nc1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C15H9FN2O3/c16-14-6-5-9(8-17-14)18-15(20)13-7-11(19)10-3-1-2-4-12(10)21-13/h1-8H,(H,18,20)
InChIKeyXNJKKTBJRDRMCX-UHFFFAOYSA-N
XLogP2.58
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide (CID 103789742) is N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide is O=C(Nc1ccc(F)nc1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide?
The InChIKey is XNJKKTBJRDRMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O3/c16-14-6-5-9(8-17-14)18-15(20)13-7-11(19)10-3-1-2-4-12(10)21-13/h1-8H,(H,18,20).
What are the key properties of N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide?
N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide has a molecular weight of 284.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 103789742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).