tripyridin-3-yl benzene-1,3,5-tricarboxylate

C24H15N3O6 — CID 102031459

IUPACtripyridin-3-yl benzene-1,3,5-tricarboxylate
SMILESO=C(Oc1cccnc1)c1cc(C(=O)Oc2cccnc2)cc(C(=O)Oc2cccnc2)c1
InChIInChI=1S/C24H15N3O6/c28-22(31-19-4-1-7-25-13-19)16-10-17(23(29)32-20-5-2-8-26-14-20)12-18(11-16)24(30)33-21-6-3-9-27-15-21/h1-15H
InChIKeyUXMKWNGDVULDFM-UHFFFAOYSA-N
MW441.40 g/mol
LogP3.53
Rot. Bonds6

About tripyridin-3-yl benzene-1,3,5-tricarboxylate

tripyridin-3-yl benzene-1,3,5-tricarboxylate (PubChem CID 102031459) has the molecular formula C24H15N3O6 and a molecular weight of 441.40 g/mol. Its IUPAC name is tripyridin-3-yl benzene-1,3,5-tricarboxylate.

Molecular Properties

Compound Nametripyridin-3-yl benzene-1,3,5-tricarboxylate
PubChem CID102031459
Molecular FormulaC24H15N3O6
Molecular Weight441.40 g/mol
Exact Mass441.10
IUPAC Nametripyridin-3-yl benzene-1,3,5-tricarboxylate
SMILESO=C(Oc1cccnc1)c1cc(C(=O)Oc2cccnc2)cc(C(=O)Oc2cccnc2)c1
InChIInChI=1S/C24H15N3O6/c28-22(31-19-4-1-7-25-13-19)16-10-17(23(29)32-20-5-2-8-26-14-20)12-18(11-16)24(30)33-21-6-3-9-27-15-21/h1-15H
InChIKeyUXMKWNGDVULDFM-UHFFFAOYSA-N
XLogP3.53
TPSA117.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[3-(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate
CID 4582342
3-pyridin-3-yloxycarbonyl-1,2-oxazole-5-carboxylic acid
CID 117215056
pyridin-3-yl 3-amino-1H-pyrazole-5-carboxylate
CID 117215308
pyridin-3-yl 5-bromofuran-2-carboxylate
CID 5244119
(5-chloro-3-pyridinyl) 4-pyridin-3-ylbenzoate
CID 177378862
[4-[2-[4-(pyridine-3-carbonyloxy)phenyl]propan-2-yl]phenyl] pyridine-3-carboxylate
CID 143295280
pyridin-3-yl 1,2,3,6-tetrahydropyridine-4-carboxylate
CID 117125989
[4-(trifluoromethyl)phenyl] pyridine-3-carboxylate
CID 144826285
4-oxo-4-pyridin-3-yloxybut-2-enoic acid
CID 57184664
(3-nitrophenyl) pyridine-3-carboxylate;hydrochloride
CID 158035461
5-pyridin-3-yloxycarbonyl-1,2-thiazole-4-carboxylic acid
CID 117218877
2-pyridin-3-yloxycarbonylpyrimidine-4-carboxylic acid
CID 117213051

Frequently Asked Questions

What is the IUPAC name of tripyridin-3-yl benzene-1,3,5-tricarboxylate?
The IUPAC name of tripyridin-3-yl benzene-1,3,5-tricarboxylate (CID 102031459) is tripyridin-3-yl benzene-1,3,5-tricarboxylate.
What is the SMILES notation for tripyridin-3-yl benzene-1,3,5-tricarboxylate?
The canonical SMILES for tripyridin-3-yl benzene-1,3,5-tricarboxylate is O=C(Oc1cccnc1)c1cc(C(=O)Oc2cccnc2)cc(C(=O)Oc2cccnc2)c1.
What is the InChIKey of tripyridin-3-yl benzene-1,3,5-tricarboxylate?
The InChIKey is UXMKWNGDVULDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3O6/c28-22(31-19-4-1-7-25-13-19)16-10-17(23(29)32-20-5-2-8-26-14-20)12-18(11-16)24(30)33-21-6-3-9-27-15-21/h1-15H.
What are the key properties of tripyridin-3-yl benzene-1,3,5-tricarboxylate?
tripyridin-3-yl benzene-1,3,5-tricarboxylate has a molecular weight of 441.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tripyridin-3-yl benzene-1,3,5-tricarboxylate is sourced from PubChem (CID 102031459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).