4-(3-pyridin-2-ylphenyl)pyrimidine

C15H11N3 — CID 172541875

IUPAC4-(3-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2cccc(-c3ccncn3)c2)nc1
InChIInChI=1S/C15H11N3/c1-2-8-17-14(6-1)12-4-3-5-13(10-12)15-7-9-16-11-18-15/h1-11H
InChIKeyVTOZSCCRAAKEKG-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.21
Rot. Bonds2

About 4-(3-pyridin-2-ylphenyl)pyrimidine

4-(3-pyridin-2-ylphenyl)pyrimidine (PubChem CID 172541875) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(3-pyridin-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(3-pyridin-2-ylphenyl)pyrimidine
PubChem CID172541875
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name4-(3-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2cccc(-c3ccncn3)c2)nc1
InChIInChI=1S/C15H11N3/c1-2-8-17-14(6-1)12-4-3-5-13(10-12)15-7-9-16-11-18-15/h1-11H
InChIKeyVTOZSCCRAAKEKG-UHFFFAOYSA-N
XLogP3.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-phenyl-4-pyridinyl)pyrimidine
CID 58421020
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
4-(3-naphthalen-1-ylphenyl)pyrimidine
CID 156551175
4-[3-(2-methylphenyl)phenyl]pyrimidine
CID 146397292
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866
ethane;4-(3-methylphenyl)pyrimidine
CID 178100798
ethane;4-(3-methylphenyl)pyrimidine
CID 144572009
3-pyrimidin-4-ylbenzamide
CID 67036490
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
CID 88529992
CID 88529992
4-(6-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)pyrimidine
CID 118698668

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-2-ylphenyl)pyrimidine?
The IUPAC name of 4-(3-pyridin-2-ylphenyl)pyrimidine (CID 172541875) is 4-(3-pyridin-2-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(3-pyridin-2-ylphenyl)pyrimidine?
The canonical SMILES for 4-(3-pyridin-2-ylphenyl)pyrimidine is c1ccc(-c2cccc(-c3ccncn3)c2)nc1.
What is the InChIKey of 4-(3-pyridin-2-ylphenyl)pyrimidine?
The InChIKey is VTOZSCCRAAKEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c1-2-8-17-14(6-1)12-4-3-5-13(10-12)15-7-9-16-11-18-15/h1-11H.
What are the key properties of 4-(3-pyridin-2-ylphenyl)pyrimidine?
4-(3-pyridin-2-ylphenyl)pyrimidine has a molecular weight of 233.27 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-2-ylphenyl)pyrimidine is sourced from PubChem (CID 172541875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).