4-[2-(3-methylphenyl)-6-pyridin-2-yl-4-pyridinyl]benzoate

C24H17N2O2- — CID 102480222

IUPAC4-[2-(3-methylphenyl)-6-pyridin-2-yl-4-pyridinyl]benzoate
SMILESCc1cccc(-c2cc(-c3ccc(C(=O)[O-])cc3)cc(-c3ccccn3)n2)c1
InChIInChI=1S/C24H18N2O2/c1-16-5-4-6-19(13-16)22-14-20(17-8-10-18(11-9-17)24(27)28)15-23(26-22)21-7-2-3-12-25-21/h2-15H,1H3,(H,27,28)/p-1
InChIKeyUBURPGFBZZHNIT-UHFFFAOYSA-M
MW365.41 g/mol
LogP4.15
Rot. Bonds4

About 4-[2-(3-methylphenyl)-6-pyridin-2-yl-4-pyridinyl]benzoate

4-[2-(3-methylphenyl)-6-pyridin-2-yl-4-pyridinyl]benzoate (PubChem CID 102480222) has the molecular formula C24H17N2O2- and a molecular weight of 365.41 g/mol. Its IUPAC name is 4-[2-(3-methylphenyl)-6-pyridin-2-yl-4-pyridinyl]benzoate.

Molecular Properties

Compound Name4-[2-(3-methylphenyl)-6-pyridin-2-yl-4-pyridinyl]benzoate
PubChem CID102480222
Molecular FormulaC24H17N2O2-
Molecular Weight365.41 g/mol
Exact Mass365.13
IUPAC Name4-[2-(3-methylphenyl)-6-pyridin-2-yl-4-pyridinyl]benzoate
SMILESCc1cccc(-c2cc(-c3ccc(C(=O)[O-])cc3)cc(-c3ccccn3)n2)c1
InChIInChI=1S/C24H18N2O2/c1-16-5-4-6-19(13-16)22-14-20(17-8-10-18(11-9-17)24(27)28)15-23(26-22)21-7-2-3-12-25-21/h2-15H,1H3,(H,27,28)/p-1
InChIKeyUBURPGFBZZHNIT-UHFFFAOYSA-M
XLogP4.15
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 22359756
3-pyridin-2-ylbenzoate
CID 7020368
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
chloroplatinum(1+);4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;chloride
CID 165430889
2,6-bis(3-methylphenyl)-4-[4-(3-phenylphenyl)phenyl]pyridine;2,6-bis(3-methylphenyl)-4-(4-phenylphenyl)pyridine;4-[4-(3,5-diphenylphenyl)phenyl]-2,6-bis(3-methylphenyl)pyridine
CID 157407374
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate
CID 102197724
3-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid
CID 54097224
4-phenyl-2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-6-pyridin-2-ylpyridine;2-pyridin-2-yl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyridine
CID 158535696
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102048585
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
bis(2,6-dipyridin-2-ylpyridine);hexakis(4-iodobenzoate);bis(ytterbium(3+));dihydrate
CID 139203194

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylphenyl)-6-pyridin-2-yl-4-pyridinyl]benzoate?
The IUPAC name of 4-[2-(3-methylphenyl)-6-pyridin-2-yl-4-pyridinyl]benzoate (CID 102480222) is 4-[2-(3-methylphenyl)-6-pyridin-2-yl-4-pyridinyl]benzoate.
What is the SMILES notation for 4-[2-(3-methylphenyl)-6-pyridin-2-yl-4-pyridinyl]benzoate?
The canonical SMILES for 4-[2-(3-methylphenyl)-6-pyridin-2-yl-4-pyridinyl]benzoate is Cc1cccc(-c2cc(-c3ccc(C(=O)[O-])cc3)cc(-c3ccccn3)n2)c1.
What is the InChIKey of 4-[2-(3-methylphenyl)-6-pyridin-2-yl-4-pyridinyl]benzoate?
The InChIKey is UBURPGFBZZHNIT-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H18N2O2/c1-16-5-4-6-19(13-16)22-14-20(17-8-10-18(11-9-17)24(27)28)15-23(26-22)21-7-2-3-12-25-21/h2-15H,1H3,(H,27,28)/p-1.
What are the key properties of 4-[2-(3-methylphenyl)-6-pyridin-2-yl-4-pyridinyl]benzoate?
4-[2-(3-methylphenyl)-6-pyridin-2-yl-4-pyridinyl]benzoate has a molecular weight of 365.41 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylphenyl)-6-pyridin-2-yl-4-pyridinyl]benzoate is sourced from PubChem (CID 102480222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).