4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine

C19H13N3O — CID 101132495

IUPAC4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine
SMILESc1ccc(-c2cc(-c3ccco3)cc(-c3ccncc3)n2)nc1
InChIInChI=1S/C19H13N3O/c1-2-8-21-16(4-1)18-13-15(19-5-3-11-23-19)12-17(22-18)14-6-9-20-10-7-14/h1-13H
InChIKeyBXGUUHLJIBAGAX-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.47
Rot. Bonds3

About 4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine

4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine (PubChem CID 101132495) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine.

Molecular Properties

Compound Name4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine
PubChem CID101132495
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC Name4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine
SMILESc1ccc(-c2cc(-c3ccco3)cc(-c3ccncc3)n2)nc1
InChIInChI=1S/C19H13N3O/c1-2-8-21-16(4-1)18-13-15(19-5-3-11-23-19)12-17(22-18)14-6-9-20-10-7-14/h1-13H
InChIKeyBXGUUHLJIBAGAX-UHFFFAOYSA-N
XLogP4.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine?
The IUPAC name of 4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine (CID 101132495) is 4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine.
What is the SMILES notation for 4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine?
The canonical SMILES for 4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine is c1ccc(-c2cc(-c3ccco3)cc(-c3ccncc3)n2)nc1.
What is the InChIKey of 4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine?
The InChIKey is BXGUUHLJIBAGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O/c1-2-8-21-16(4-1)18-13-15(19-5-3-11-23-19)12-17(22-18)14-6-9-20-10-7-14/h1-13H.
What are the key properties of 4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine?
4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine has a molecular weight of 299.33 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine is sourced from PubChem (CID 101132495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).