4-[7-(2,6-dicarboxy-4-pyridinyl)naphthalen-2-yl]pyridine-2,6-dicarboxylic acid

C24H14N2O8 — CID 102140939

IUPAC4-[7-(2,6-dicarboxy-4-pyridinyl)naphthalen-2-yl]pyridine-2,6-dicarboxylic acid
SMILESO=C(O)c1cc(-c2ccc3ccc(-c4cc(C(=O)O)nc(C(=O)O)c4)cc3c2)cc(C(=O)O)n1
InChIInChI=1S/C24H14N2O8/c27-21(28)17-7-15(8-18(25-17)22(29)30)12-3-1-11-2-4-13(6-14(11)5-12)16-9-19(23(31)32)26-20(10-16)24(33)34/h1-10H,(H,27,28)(H,29,30)(H,31,32)(H,33,34)
InChIKeyAGGVAOVIKASFDW-UHFFFAOYSA-N
MW458.38 g/mol
LogP3.76
Rot. Bonds6

About 4-[7-(2,6-dicarboxy-4-pyridinyl)naphthalen-2-yl]pyridine-2,6-dicarboxylic acid

4-[7-(2,6-dicarboxy-4-pyridinyl)naphthalen-2-yl]pyridine-2,6-dicarboxylic acid (PubChem CID 102140939) has the molecular formula C24H14N2O8 and a molecular weight of 458.38 g/mol. Its IUPAC name is 4-[7-(2,6-dicarboxy-4-pyridinyl)naphthalen-2-yl]pyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name4-[7-(2,6-dicarboxy-4-pyridinyl)naphthalen-2-yl]pyridine-2,6-dicarboxylic acid
PubChem CID102140939
Molecular FormulaC24H14N2O8
Molecular Weight458.38 g/mol
Exact Mass458.08
IUPAC Name4-[7-(2,6-dicarboxy-4-pyridinyl)naphthalen-2-yl]pyridine-2,6-dicarboxylic acid
SMILESO=C(O)c1cc(-c2ccc3ccc(-c4cc(C(=O)O)nc(C(=O)O)c4)cc3c2)cc(C(=O)O)n1
InChIInChI=1S/C24H14N2O8/c27-21(28)17-7-15(8-18(25-17)22(29)30)12-3-1-11-2-4-13(6-14(11)5-12)16-9-19(23(31)32)26-20(10-16)24(33)34/h1-10H,(H,27,28)(H,29,30)(H,31,32)(H,33,34)
InChIKeyAGGVAOVIKASFDW-UHFFFAOYSA-N
XLogP3.76
TPSA174.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.38
LogP ≤ 53.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,6-dicarboxy-4-pyridinyl)pyridine-2,6-dicarboxylic acid;trihydrate
CID 139149283
5-[6-(3,5-dicarboxyphenyl)anthracen-2-yl]benzene-1,3-dicarboxylic acid
CID 102105468
4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid
CID 163216957
4-(6-methoxynaphthalen-2-yl)pyridine-2-carboxylic acid
CID 58138528
6-naphthalen-2-ylpyridine-2-carboxylic acid
CID 158131447
4-(furan-2-yl)pyridine-2,6-dicarboxylic acid
CID 138673812
6-[4-(6-carboxynaphthalen-2-yl)phenyl]naphthalene-2-carboxylic acid
CID 175448774
4-(2,6-dicarbonochloridoyl-4-pyridinyl)pyridine-2,6-dicarbonyl chloride
CID 14363359
6-methoxy-4-phenylpyridine-2-carboxylic acid
CID 133096381
CID 91986542
CID 91986542
trimethyl-[4-[4-[7-(4-trimethylsilylphenyl)naphthalen-2-yl]phenyl]phenyl]silane
CID 169293615
3-chloro-5-naphthalen-2-ylbenzoic acid
CID 53226810

Frequently Asked Questions

What is the IUPAC name of 4-[7-(2,6-dicarboxy-4-pyridinyl)naphthalen-2-yl]pyridine-2,6-dicarboxylic acid?
The IUPAC name of 4-[7-(2,6-dicarboxy-4-pyridinyl)naphthalen-2-yl]pyridine-2,6-dicarboxylic acid (CID 102140939) is 4-[7-(2,6-dicarboxy-4-pyridinyl)naphthalen-2-yl]pyridine-2,6-dicarboxylic acid.
What is the SMILES notation for 4-[7-(2,6-dicarboxy-4-pyridinyl)naphthalen-2-yl]pyridine-2,6-dicarboxylic acid?
The canonical SMILES for 4-[7-(2,6-dicarboxy-4-pyridinyl)naphthalen-2-yl]pyridine-2,6-dicarboxylic acid is O=C(O)c1cc(-c2ccc3ccc(-c4cc(C(=O)O)nc(C(=O)O)c4)cc3c2)cc(C(=O)O)n1.
What is the InChIKey of 4-[7-(2,6-dicarboxy-4-pyridinyl)naphthalen-2-yl]pyridine-2,6-dicarboxylic acid?
The InChIKey is AGGVAOVIKASFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2O8/c27-21(28)17-7-15(8-18(25-17)22(29)30)12-3-1-11-2-4-13(6-14(11)5-12)16-9-19(23(31)32)26-20(10-16)24(33)34/h1-10H,(H,27,28)(H,29,30)(H,31,32)(H,33,34).
What are the key properties of 4-[7-(2,6-dicarboxy-4-pyridinyl)naphthalen-2-yl]pyridine-2,6-dicarboxylic acid?
4-[7-(2,6-dicarboxy-4-pyridinyl)naphthalen-2-yl]pyridine-2,6-dicarboxylic acid has a molecular weight of 458.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2,6-dicarboxy-4-pyridinyl)naphthalen-2-yl]pyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 102140939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).