furan;pyridine;pyrimidine

C13H13N3O — CID 142066967

IUPACfuran;pyridine;pyrimidine
SMILESc1ccncc1.c1ccoc1.c1cncnc1
InChIInChI=1S/C5H5N.C4H4N2.C4H4O/c1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-2-4-5-3-1/h1-5H;1-4H;1-4H
InChIKeyZFDDLXMNOJYJMT-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.84
Rot. Bonds

About furan;pyridine;pyrimidine

furan;pyridine;pyrimidine (PubChem CID 142066967) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is furan;pyridine;pyrimidine.

Molecular Properties

Compound Namefuran;pyridine;pyrimidine
PubChem CID142066967
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Namefuran;pyridine;pyrimidine
SMILESc1ccncc1.c1ccoc1.c1cncnc1
InChIInChI=1S/C5H5N.C4H4N2.C4H4O/c1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-2-4-5-3-1/h1-5H;1-4H;1-4H
InChIKeyZFDDLXMNOJYJMT-UHFFFAOYSA-N
XLogP2.84
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan;pyridine;pyrimidine?
The IUPAC name of furan;pyridine;pyrimidine (CID 142066967) is furan;pyridine;pyrimidine.
What is the SMILES notation for furan;pyridine;pyrimidine?
The canonical SMILES for furan;pyridine;pyrimidine is c1ccncc1.c1ccoc1.c1cncnc1.
What is the InChIKey of furan;pyridine;pyrimidine?
The InChIKey is ZFDDLXMNOJYJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4H4N2.C4H4O/c1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-2-4-5-3-1/h1-5H;1-4H;1-4H.
What are the key properties of furan;pyridine;pyrimidine?
furan;pyridine;pyrimidine has a molecular weight of 227.27 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan;pyridine;pyrimidine is sourced from PubChem (CID 142066967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).