5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-methoxy-2-pyridin-2-yloxypyrimidine

C22H14Cl3N3O2 — CID 10321933

IUPAC5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-methoxy-2-pyridin-2-yloxypyrimidine
SMILESCOc1nc(Oc2ccccn2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H14Cl3N3O2/c1-29-21-19(13-5-7-14(23)8-6-13)20(16-10-9-15(24)12-17(16)25)27-22(28-21)30-18-4-2-3-11-26-18/h2-12H,1H3
InChIKeyZQZBQTIGNWPALR-UHFFFAOYSA-N
MW458.73 g/mol
LogP6.97
Rot. Bonds5

About 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-methoxy-2-pyridin-2-yloxypyrimidine

5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-methoxy-2-pyridin-2-yloxypyrimidine (PubChem CID 10321933) has the molecular formula C22H14Cl3N3O2 and a molecular weight of 458.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-methoxy-2-pyridin-2-yloxypyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-methoxy-2-pyridin-2-yloxypyrimidine
PubChem CID10321933
Molecular FormulaC22H14Cl3N3O2
Molecular Weight458.73 g/mol
Exact Mass457.02
IUPAC Name5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-methoxy-2-pyridin-2-yloxypyrimidine
SMILESCOc1nc(Oc2ccccn2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H14Cl3N3O2/c1-29-21-19(13-5-7-14(23)8-6-13)20(16-10-9-15(24)12-17(16)25)27-22(28-21)30-18-4-2-3-11-26-18/h2-12H,1H3
InChIKeyZQZBQTIGNWPALR-UHFFFAOYSA-N
XLogP6.97
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.73
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-(2-fluorophenoxy)-2-methoxypyrimidine
CID 90718314
2-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-yl]oxybenzonitrile
CID 91396595
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-(2,2-dimethylpropoxy)-6-pyridin-3-yloxypyrimidine
CID 10459152
4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-6-methoxy-5-[4-(trifluoromethyl)phenyl]pyrimidine
CID 10053040
4,6-dimethoxy-2-pyridin-2-yloxypyrimidine
CID 91802250
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-methylsulfonyl-6-pyridin-3-yloxypyrimidine;5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-propan-2-yloxy-6-pyridin-3-yloxypyrimidine
CID 161334677
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-methylsulfonyl-2-propan-2-yloxypyrimidine
CID 59753904
2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine
CID 46177844
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,6-bis(methylsulfonyl)pyrimidine
CID 59753883
methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate
CID 10126602
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile
CID 10311022
5-chloro-3-(2,4-dichlorophenyl)-2-methoxypyridine
CID 133088213

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-methoxy-2-pyridin-2-yloxypyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-methoxy-2-pyridin-2-yloxypyrimidine (CID 10321933) is 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-methoxy-2-pyridin-2-yloxypyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-methoxy-2-pyridin-2-yloxypyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-methoxy-2-pyridin-2-yloxypyrimidine is COc1nc(Oc2ccccn2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-methoxy-2-pyridin-2-yloxypyrimidine?
The InChIKey is ZQZBQTIGNWPALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl3N3O2/c1-29-21-19(13-5-7-14(23)8-6-13)20(16-10-9-15(24)12-17(16)25)27-22(28-21)30-18-4-2-3-11-26-18/h2-12H,1H3.
What are the key properties of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-methoxy-2-pyridin-2-yloxypyrimidine?
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-methoxy-2-pyridin-2-yloxypyrimidine has a molecular weight of 458.73 g/mol, XLogP of 6.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-methoxy-2-pyridin-2-yloxypyrimidine is sourced from PubChem (CID 10321933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).