4-(2-chlorophenyl)-5-methyl-2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine

C29H21ClN2O — CID 162771209

IUPAC4-(2-chlorophenyl)-5-methyl-2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine
SMILESCc1cnc(-c2cccc(Oc3cccc(-c4ccccn4)c3)c2)cc1-c1ccccc1Cl
InChIInChI=1S/C29H21ClN2O/c1-20-19-32-29(18-26(20)25-12-2-3-13-27(25)30)22-9-7-11-24(17-22)33-23-10-6-8-21(16-23)28-14-4-5-15-31-28/h2-19H,1H3
InChIKeyNOAVHNRJFJHXPC-UHFFFAOYSA-N
MW448.95 g/mol
LogP8.23
Rot. Bonds5

About 4-(2-chlorophenyl)-5-methyl-2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine

4-(2-chlorophenyl)-5-methyl-2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine (PubChem CID 162771209) has the molecular formula C29H21ClN2O and a molecular weight of 448.95 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-methyl-2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-methyl-2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine
PubChem CID162771209
Molecular FormulaC29H21ClN2O
Molecular Weight448.95 g/mol
Exact Mass448.13
IUPAC Name4-(2-chlorophenyl)-5-methyl-2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine
SMILESCc1cnc(-c2cccc(Oc3cccc(-c4ccccn4)c3)c2)cc1-c1ccccc1Cl
InChIInChI=1S/C29H21ClN2O/c1-20-19-32-29(18-26(20)25-12-2-3-13-27(25)30)22-9-7-11-24(17-22)33-23-10-6-8-21(16-23)28-14-4-5-15-31-28/h2-19H,1H3
InChIKeyNOAVHNRJFJHXPC-UHFFFAOYSA-N
XLogP8.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.95
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-[3-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]phenyl]phenyl]phenyl]pyridine
CID 139363753
2-(3-pyridin-3-yloxyphenyl)pyridine
CID 123250920
2-[3-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine
CID 142562263
2-[3-(2-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine
CID 142562312
2-[3-(3-pyridin-2-yloxyphenoxy)phenyl]pyridine
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CID 153428799
2-[5-methyl-3,7-bis(3-pyridin-2-ylphenoxy)benzo[b][1]benzosilol-5-yl]pyrimidine
CID 159328540
(3-pyridin-2-ylphenyl) hypoiodite
CID 143814721
2-[3-[3-(1-tetraphenylen-2-ylimidazol-2-yl)phenoxy]phenyl]pyridine
CID 164939634
2-[3-(2-phenylphenyl)phenyl]pyridine
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2-(3-propan-2-yloxyphenyl)pyridine
CID 70320352
2-phenyl-6-(3-pyridin-2-ylphenoxy)pyridine
CID 58871043

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-methyl-2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine?
The IUPAC name of 4-(2-chlorophenyl)-5-methyl-2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine (CID 162771209) is 4-(2-chlorophenyl)-5-methyl-2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine.
What is the SMILES notation for 4-(2-chlorophenyl)-5-methyl-2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine?
The canonical SMILES for 4-(2-chlorophenyl)-5-methyl-2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine is Cc1cnc(-c2cccc(Oc3cccc(-c4ccccn4)c3)c2)cc1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-5-methyl-2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine?
The InChIKey is NOAVHNRJFJHXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21ClN2O/c1-20-19-32-29(18-26(20)25-12-2-3-13-27(25)30)22-9-7-11-24(17-22)33-23-10-6-8-21(16-23)28-14-4-5-15-31-28/h2-19H,1H3.
What are the key properties of 4-(2-chlorophenyl)-5-methyl-2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine?
4-(2-chlorophenyl)-5-methyl-2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine has a molecular weight of 448.95 g/mol, XLogP of 8.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-methyl-2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine is sourced from PubChem (CID 162771209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).