3-chloro-2,5,6-tris(4-methoxyphenyl)pyridine

C26H22ClNO3 — CID 122233245

IUPAC3-chloro-2,5,6-tris(4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2cc(Cl)c(-c3ccc(OC)cc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H22ClNO3/c1-29-20-10-4-17(5-11-20)23-16-24(27)26(19-8-14-22(31-3)15-9-19)28-25(23)18-6-12-21(30-2)13-7-18/h4-16H,1-3H3
InChIKeyNWQBQUFINKUOCT-UHFFFAOYSA-N
MW431.92 g/mol
LogP6.76
Rot. Bonds6

About 3-chloro-2,5,6-tris(4-methoxyphenyl)pyridine

3-chloro-2,5,6-tris(4-methoxyphenyl)pyridine (PubChem CID 122233245) has the molecular formula C26H22ClNO3 and a molecular weight of 431.92 g/mol. Its IUPAC name is 3-chloro-2,5,6-tris(4-methoxyphenyl)pyridine.

Molecular Properties

Compound Name3-chloro-2,5,6-tris(4-methoxyphenyl)pyridine
PubChem CID122233245
Molecular FormulaC26H22ClNO3
Molecular Weight431.92 g/mol
Exact Mass431.13
IUPAC Name3-chloro-2,5,6-tris(4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2cc(Cl)c(-c3ccc(OC)cc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H22ClNO3/c1-29-20-10-4-17(5-11-20)23-16-24(27)26(19-8-14-22(31-3)15-9-19)28-25(23)18-6-12-21(30-2)13-7-18/h4-16H,1-3H3
InChIKeyNWQBQUFINKUOCT-UHFFFAOYSA-N
XLogP6.76
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.92
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,5-tris(4-methoxyphenyl)pyridine
CID 10834626
3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one
CID 18759983
3,4-bis(4-methoxyphenyl)-6-methylsulfanylpyridazine
CID 18760018
[5-(2,4-dichlorophenyl)-2,6-bis(4-methoxyphenyl)-3-pyridinyl]methanamine
CID 69347292
2-chloro-5-(4-methoxyphenyl)-4-phenyl-1,3-oxazole
CID 54104212
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
2-methoxy-7-(2-phenylphenyl)naphthalene
CID 141340555
6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one
CID 59651906
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167
2,6-diphenyl-3,5-bis(4-phenylphenyl)pyridine
CID 122233247
6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline
CID 118726434
2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline
CID 121258930

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,5,6-tris(4-methoxyphenyl)pyridine?
The IUPAC name of 3-chloro-2,5,6-tris(4-methoxyphenyl)pyridine (CID 122233245) is 3-chloro-2,5,6-tris(4-methoxyphenyl)pyridine.
What is the SMILES notation for 3-chloro-2,5,6-tris(4-methoxyphenyl)pyridine?
The canonical SMILES for 3-chloro-2,5,6-tris(4-methoxyphenyl)pyridine is COc1ccc(-c2cc(Cl)c(-c3ccc(OC)cc3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-chloro-2,5,6-tris(4-methoxyphenyl)pyridine?
The InChIKey is NWQBQUFINKUOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClNO3/c1-29-20-10-4-17(5-11-20)23-16-24(27)26(19-8-14-22(31-3)15-9-19)28-25(23)18-6-12-21(30-2)13-7-18/h4-16H,1-3H3.
What are the key properties of 3-chloro-2,5,6-tris(4-methoxyphenyl)pyridine?
3-chloro-2,5,6-tris(4-methoxyphenyl)pyridine has a molecular weight of 431.92 g/mol, XLogP of 6.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,5,6-tris(4-methoxyphenyl)pyridine is sourced from PubChem (CID 122233245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).