4-(2-chloro-4-pyridinyl)-2-phenylpyrimidine

C15H10ClN3 — CID 16637811

IUPAC4-(2-chloro-4-pyridinyl)-2-phenylpyrimidine
SMILESClc1cc(-c2ccnc(-c3ccccc3)n2)ccn1
InChIInChI=1S/C15H10ClN3/c16-14-10-12(6-8-17-14)13-7-9-18-15(19-13)11-4-2-1-3-5-11/h1-10H
InChIKeyGKGYKUKMANMUOU-UHFFFAOYSA-N
MW267.72 g/mol
LogP3.86
Rot. Bonds2

About 4-(2-chloro-4-pyridinyl)-2-phenylpyrimidine

4-(2-chloro-4-pyridinyl)-2-phenylpyrimidine (PubChem CID 16637811) has the molecular formula C15H10ClN3 and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-(2-chloro-4-pyridinyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(2-chloro-4-pyridinyl)-2-phenylpyrimidine
PubChem CID16637811
Molecular FormulaC15H10ClN3
Molecular Weight267.72 g/mol
Exact Mass267.06
IUPAC Name4-(2-chloro-4-pyridinyl)-2-phenylpyrimidine
SMILESClc1cc(-c2ccnc(-c3ccccc3)n2)ccn1
InChIInChI=1S/C15H10ClN3/c16-14-10-12(6-8-17-14)13-7-9-18-15(19-13)11-4-2-1-3-5-11/h1-10H
InChIKeyGKGYKUKMANMUOU-UHFFFAOYSA-N
XLogP3.86
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,4-diphenylpyrimidine;yttrium
CID 59738567
2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine
CID 178054234
2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine
CID 174849624
2,4-bis(4-phenylphenyl)pyrimidine
CID 138636531
2,4-diphenylpyrimidine;triphenylene
CID 175536318
2,4-bis(3,5-diphenylphenyl)pyrimidine
CID 172850530
2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
CID 155006921
2-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-1,3,5-triazine
CID 159229968
2-[3-(2-chloropyrimidin-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 156767945
2-(2-chloro-4-pyridinyl)pyrazine
CID 71615032
4-(2-phenylpyrimidin-4-yl)benzoic acid
CID 11637659
4-(3-phenylphenyl)-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine
CID 137389682

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-pyridinyl)-2-phenylpyrimidine?
The IUPAC name of 4-(2-chloro-4-pyridinyl)-2-phenylpyrimidine (CID 16637811) is 4-(2-chloro-4-pyridinyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-(2-chloro-4-pyridinyl)-2-phenylpyrimidine?
The canonical SMILES for 4-(2-chloro-4-pyridinyl)-2-phenylpyrimidine is Clc1cc(-c2ccnc(-c3ccccc3)n2)ccn1.
What is the InChIKey of 4-(2-chloro-4-pyridinyl)-2-phenylpyrimidine?
The InChIKey is GKGYKUKMANMUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3/c16-14-10-12(6-8-17-14)13-7-9-18-15(19-13)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 4-(2-chloro-4-pyridinyl)-2-phenylpyrimidine?
4-(2-chloro-4-pyridinyl)-2-phenylpyrimidine has a molecular weight of 267.72 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-pyridinyl)-2-phenylpyrimidine is sourced from PubChem (CID 16637811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).