phenol;pyridine;1H-pyrrole

C15H16N2O — CID 174869090

IUPACphenol;pyridine;1H-pyrrole
SMILESOc1ccccc1.c1cc[nH]c1.c1ccncc1
InChIInChI=1S/C6H6O.C5H5N.C4H5N/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2-4-5-3-1/h1-5,7H;1-5H;1-5H
InChIKeySFNIJBQFAYRLQT-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.49
Rot. Bonds

About phenol;pyridine;1H-pyrrole

phenol;pyridine;1H-pyrrole (PubChem CID 174869090) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is phenol;pyridine;1H-pyrrole.

Molecular Properties

Compound Namephenol;pyridine;1H-pyrrole
PubChem CID174869090
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Namephenol;pyridine;1H-pyrrole
SMILESOc1ccccc1.c1cc[nH]c1.c1ccncc1
InChIInChI=1S/C6H6O.C5H5N.C4H5N/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2-4-5-3-1/h1-5,7H;1-5H;1-5H
InChIKeySFNIJBQFAYRLQT-UHFFFAOYSA-N
XLogP3.49
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 67496590
CID 67496590
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Frequently Asked Questions

What is the IUPAC name of phenol;pyridine;1H-pyrrole?
The IUPAC name of phenol;pyridine;1H-pyrrole (CID 174869090) is phenol;pyridine;1H-pyrrole.
What is the SMILES notation for phenol;pyridine;1H-pyrrole?
The canonical SMILES for phenol;pyridine;1H-pyrrole is Oc1ccccc1.c1cc[nH]c1.c1ccncc1.
What is the InChIKey of phenol;pyridine;1H-pyrrole?
The InChIKey is SFNIJBQFAYRLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C5H5N.C4H5N/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2-4-5-3-1/h1-5,7H;1-5H;1-5H.
What are the key properties of phenol;pyridine;1H-pyrrole?
phenol;pyridine;1H-pyrrole has a molecular weight of 240.31 g/mol, XLogP of 3.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;pyridine;1H-pyrrole is sourced from PubChem (CID 174869090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).