4-(2-pyridin-3-ylpyrimidin-4-yl)phenol

C15H11N3O — CID 141472671

IUPAC4-(2-pyridin-3-ylpyrimidin-4-yl)phenol
SMILESOc1ccc(-c2ccnc(-c3cccnc3)n2)cc1
InChIInChI=1S/C15H11N3O/c19-13-5-3-11(4-6-13)14-7-9-17-15(18-14)12-2-1-8-16-10-12/h1-10,19H
InChIKeyPHJYNAHAXJHBJC-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.91
Rot. Bonds2

About 4-(2-pyridin-3-ylpyrimidin-4-yl)phenol

4-(2-pyridin-3-ylpyrimidin-4-yl)phenol (PubChem CID 141472671) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-(2-pyridin-3-ylpyrimidin-4-yl)phenol.

Molecular Properties

Compound Name4-(2-pyridin-3-ylpyrimidin-4-yl)phenol
PubChem CID141472671
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name4-(2-pyridin-3-ylpyrimidin-4-yl)phenol
SMILESOc1ccc(-c2ccnc(-c3cccnc3)n2)cc1
InChIInChI=1S/C15H11N3O/c19-13-5-3-11(4-6-13)14-7-9-17-15(18-14)12-2-1-8-16-10-12/h1-10,19H
InChIKeyPHJYNAHAXJHBJC-UHFFFAOYSA-N
XLogP2.91
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(10-phenylanthracen-9-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine
CID 129084345
2,4-bis(4-phenylphenyl)pyrimidine
CID 138636531
4-[4-(4-hydroxyphenyl)pyrimidin-2-yl]benzaldehyde
CID 137199110
2,4-diphenylpyrimidine;yttrium
CID 59738567
N-benzoyl-N-(4-pyridin-3-ylpyrimidin-2-yl)benzamide
CID 46224440
4-(2,6-diphenylpyrimidin-4-yl)-6-[4-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-2-pyridin-3-ylpyrimidine
CID 167146178
2-[3-(3,5-ditert-butylphenyl)-5-pyrazin-2-ylphenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine
CID 164834119
4-(2-phenylpyrimidin-4-yl)benzoic acid
CID 11637659
2-pyridin-3-ylquinolin-6-ol
CID 118168509
2,6-dipyridin-3-ylpyridine
CID 13349632
N-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 44820593
2,4-diphenylpyrimidine;triphenylene
CID 175536318

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-3-ylpyrimidin-4-yl)phenol?
The IUPAC name of 4-(2-pyridin-3-ylpyrimidin-4-yl)phenol (CID 141472671) is 4-(2-pyridin-3-ylpyrimidin-4-yl)phenol.
What is the SMILES notation for 4-(2-pyridin-3-ylpyrimidin-4-yl)phenol?
The canonical SMILES for 4-(2-pyridin-3-ylpyrimidin-4-yl)phenol is Oc1ccc(-c2ccnc(-c3cccnc3)n2)cc1.
What is the InChIKey of 4-(2-pyridin-3-ylpyrimidin-4-yl)phenol?
The InChIKey is PHJYNAHAXJHBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c19-13-5-3-11(4-6-13)14-7-9-17-15(18-14)12-2-1-8-16-10-12/h1-10,19H.
What are the key properties of 4-(2-pyridin-3-ylpyrimidin-4-yl)phenol?
4-(2-pyridin-3-ylpyrimidin-4-yl)phenol has a molecular weight of 249.27 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-3-ylpyrimidin-4-yl)phenol is sourced from PubChem (CID 141472671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).