4-(3,4-dichlorophenyl)-6-(3-fluorophenyl)-2-pyridin-4-ylpyrimidine

C21H12Cl2FN3 — CID 5297690

IUPAC4-(3,4-dichlorophenyl)-6-(3-fluorophenyl)-2-pyridin-4-ylpyrimidine
SMILESFc1cccc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C21H12Cl2FN3/c22-17-5-4-15(11-18(17)23)20-12-19(14-2-1-3-16(24)10-14)26-21(27-20)13-6-8-25-9-7-13/h1-12H
InChIKeyNOJASNMHOSAYSE-UHFFFAOYSA-N
MW396.25 g/mol
LogP6.32
Rot. Bonds3

About 4-(3,4-dichlorophenyl)-6-(3-fluorophenyl)-2-pyridin-4-ylpyrimidine

4-(3,4-dichlorophenyl)-6-(3-fluorophenyl)-2-pyridin-4-ylpyrimidine (PubChem CID 5297690) has the molecular formula C21H12Cl2FN3 and a molecular weight of 396.25 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-6-(3-fluorophenyl)-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-6-(3-fluorophenyl)-2-pyridin-4-ylpyrimidine
PubChem CID5297690
Molecular FormulaC21H12Cl2FN3
Molecular Weight396.25 g/mol
Exact Mass395.04
IUPAC Name4-(3,4-dichlorophenyl)-6-(3-fluorophenyl)-2-pyridin-4-ylpyrimidine
SMILESFc1cccc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C21H12Cl2FN3/c22-17-5-4-15(11-18(17)23)20-12-19(14-2-1-3-16(24)10-14)26-21(27-20)13-6-8-25-9-7-13/h1-12H
InChIKeyNOJASNMHOSAYSE-UHFFFAOYSA-N
XLogP6.32
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.25
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 165168331
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163606051
4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine
CID 115914999
2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163452387
2,4,6-tripyridin-4-ylpyrimidine
CID 46317152
2-[3-(3-chlorophenyl)phenyl]-4,6-dipyridin-4-ylpyrimidine
CID 122606697
4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine
CID 138662738
4-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-2-phenyl-6-pyridin-4-ylpyrimidine
CID 130267857
2-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)-6-pyridin-4-ylpyrimidine
CID 5297686
4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 157079561
4-(4-phenylphenyl)-2-pyridin-4-yl-6-[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 130465703

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-6-(3-fluorophenyl)-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-(3,4-dichlorophenyl)-6-(3-fluorophenyl)-2-pyridin-4-ylpyrimidine (CID 5297690) is 4-(3,4-dichlorophenyl)-6-(3-fluorophenyl)-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-6-(3-fluorophenyl)-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-6-(3-fluorophenyl)-2-pyridin-4-ylpyrimidine is Fc1cccc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(-c3ccncc3)n2)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-6-(3-fluorophenyl)-2-pyridin-4-ylpyrimidine?
The InChIKey is NOJASNMHOSAYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2FN3/c22-17-5-4-15(11-18(17)23)20-12-19(14-2-1-3-16(24)10-14)26-21(27-20)13-6-8-25-9-7-13/h1-12H.
What are the key properties of 4-(3,4-dichlorophenyl)-6-(3-fluorophenyl)-2-pyridin-4-ylpyrimidine?
4-(3,4-dichlorophenyl)-6-(3-fluorophenyl)-2-pyridin-4-ylpyrimidine has a molecular weight of 396.25 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-6-(3-fluorophenyl)-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 5297690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).