benzene-1,2,3-tricarboxylic acid;4-pyridin-4-ylpyridine

C19H14N2O6 — CID 71413251

IUPACbenzene-1,2,3-tricarboxylic acid;4-pyridin-4-ylpyridine
SMILESO=C(O)c1cccc(C(=O)O)c1C(=O)O.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.C9H6O6/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-8H;1-3H,(H,10,11)(H,12,13)(H,14,15)
InChIKeyOYXMVAROHCRZFM-UHFFFAOYSA-N
MW366.33 g/mol
LogP2.92
Rot. Bonds4

About benzene-1,2,3-tricarboxylic acid;4-pyridin-4-ylpyridine

benzene-1,2,3-tricarboxylic acid;4-pyridin-4-ylpyridine (PubChem CID 71413251) has the molecular formula C19H14N2O6 and a molecular weight of 366.33 g/mol. Its IUPAC name is benzene-1,2,3-tricarboxylic acid;4-pyridin-4-ylpyridine.

Molecular Properties

Compound Namebenzene-1,2,3-tricarboxylic acid;4-pyridin-4-ylpyridine
PubChem CID71413251
Molecular FormulaC19H14N2O6
Molecular Weight366.33 g/mol
Exact Mass366.09
IUPAC Namebenzene-1,2,3-tricarboxylic acid;4-pyridin-4-ylpyridine
SMILESO=C(O)c1cccc(C(=O)O)c1C(=O)O.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.C9H6O6/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-8H;1-3H,(H,10,11)(H,12,13)(H,14,15)
InChIKeyOYXMVAROHCRZFM-UHFFFAOYSA-N
XLogP2.92
TPSA137.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Pyridin-3-yl)benzoic acid
CID 2760505
3-(Pyridin-3-yl)benzoic acid
CID 2795575
Isoquinoline-5-carboxylic acid
CID 260936
4-Pyridin-3-yl-benzoic acid
CID 1515244
3-(Pyridin-4-yl)benzoic acid
CID 2795562
Isoquinoline-6-carboxylic acid
CID 22128831
2-(Pyridin-4-yl)benzoic acid
CID 12130775
3,5-Di(Pyridin-4-Yl)benzoic Acid
CID 46316420
3-hydroxy-2-(pyridin-4-yl)-1H-inden-1-one
CID 666159
5-(Pyridin-4-yl)-1-naphthoic Acid
CID 22118910
4,4'-(Pyridine-3,5-diyl)dibenzoic acid
CID 44308079
4-[(3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]benzoic acid
CID 136166845

Frequently Asked Questions

What is the IUPAC name of benzene-1,2,3-tricarboxylic acid;4-pyridin-4-ylpyridine?
The IUPAC name of benzene-1,2,3-tricarboxylic acid;4-pyridin-4-ylpyridine (CID 71413251) is benzene-1,2,3-tricarboxylic acid;4-pyridin-4-ylpyridine.
What is the SMILES notation for benzene-1,2,3-tricarboxylic acid;4-pyridin-4-ylpyridine?
The canonical SMILES for benzene-1,2,3-tricarboxylic acid;4-pyridin-4-ylpyridine is O=C(O)c1cccc(C(=O)O)c1C(=O)O.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of benzene-1,2,3-tricarboxylic acid;4-pyridin-4-ylpyridine?
The InChIKey is OYXMVAROHCRZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C9H6O6/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-8H;1-3H,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of benzene-1,2,3-tricarboxylic acid;4-pyridin-4-ylpyridine?
benzene-1,2,3-tricarboxylic acid;4-pyridin-4-ylpyridine has a molecular weight of 366.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,3-tricarboxylic acid;4-pyridin-4-ylpyridine is sourced from PubChem (CID 71413251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).