2,6-dipyridin-4-ylpyridine-4-carboxylic acid

C16H11N3O2 — CID 46316682

IUPAC2,6-dipyridin-4-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncc2)nc(-c2ccncc2)c1
InChIInChI=1S/C16H11N3O2/c20-16(21)13-9-14(11-1-5-17-6-2-11)19-15(10-13)12-3-7-18-8-4-12/h1-10H,(H,20,21)
InChIKeySECYFZDXLHSHCD-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.90
Rot. Bonds3

About 2,6-dipyridin-4-ylpyridine-4-carboxylic acid

2,6-dipyridin-4-ylpyridine-4-carboxylic acid (PubChem CID 46316682) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2,6-dipyridin-4-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2,6-dipyridin-4-ylpyridine-4-carboxylic acid
PubChem CID46316682
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name2,6-dipyridin-4-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncc2)nc(-c2ccncc2)c1
InChIInChI=1S/C16H11N3O2/c20-16(21)13-9-14(11-1-5-17-6-2-11)19-15(10-13)12-3-7-18-8-4-12/h1-10H,(H,20,21)
InChIKeySECYFZDXLHSHCD-UHFFFAOYSA-N
XLogP2.90
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(cyclohexylamino)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxylic acid
CID 67083636
2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid
CID 56861601
2,4,6-tripyridin-4-ylpyrimidine
CID 46317152
6-phenylpyridine-2,4-dicarboxylic acid
CID 10633973
bis(benzene-1,2,4,5-tetracarboxylic acid);4-pyridin-4-ylpyridine
CID 71380958
2-(4-carboxy-2-pyridinyl)-6-[4-(2-pyridin-4-ylethynyl)-2-pyridinyl]pyridine-4-carboxylic acid
CID 145151404
2-chloro-6-(4-chlorophenyl)pyridine-4-carboxylic acid
CID 79020635
6-(4-carboxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 155684732
6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3789667
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
5,8-difluoro-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 83206411
2,5-dipyridin-4-ylterephthalic acid
CID 163197795

Frequently Asked Questions

What is the IUPAC name of 2,6-dipyridin-4-ylpyridine-4-carboxylic acid?
The IUPAC name of 2,6-dipyridin-4-ylpyridine-4-carboxylic acid (CID 46316682) is 2,6-dipyridin-4-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2,6-dipyridin-4-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2,6-dipyridin-4-ylpyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccncc2)nc(-c2ccncc2)c1.
What is the InChIKey of 2,6-dipyridin-4-ylpyridine-4-carboxylic acid?
The InChIKey is SECYFZDXLHSHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c20-16(21)13-9-14(11-1-5-17-6-2-11)19-15(10-13)12-3-7-18-8-4-12/h1-10H,(H,20,21).
What are the key properties of 2,6-dipyridin-4-ylpyridine-4-carboxylic acid?
2,6-dipyridin-4-ylpyridine-4-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipyridin-4-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 46316682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).