2,3-dipyridin-2-ylpyridine-4-carboxylic acid

C16H11N3O2 — CID 56608918

IUPAC2,3-dipyridin-2-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccccn2)c1-c1ccccn1
InChIInChI=1S/C16H11N3O2/c20-16(21)11-7-10-19-15(13-6-2-4-9-18-13)14(11)12-5-1-3-8-17-12/h1-10H,(H,20,21)
InChIKeyNYRFFGWNAOUJDN-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.90
Rot. Bonds3

About 2,3-dipyridin-2-ylpyridine-4-carboxylic acid

2,3-dipyridin-2-ylpyridine-4-carboxylic acid (PubChem CID 56608918) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2,3-dipyridin-2-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2,3-dipyridin-2-ylpyridine-4-carboxylic acid
PubChem CID56608918
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name2,3-dipyridin-2-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccccn2)c1-c1ccccn1
InChIInChI=1S/C16H11N3O2/c20-16(21)11-7-10-19-15(13-6-2-4-9-18-13)14(11)12-5-1-3-8-17-12/h1-10H,(H,20,21)
InChIKeyNYRFFGWNAOUJDN-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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Frequently Asked Questions

What is the IUPAC name of 2,3-dipyridin-2-ylpyridine-4-carboxylic acid?
The IUPAC name of 2,3-dipyridin-2-ylpyridine-4-carboxylic acid (CID 56608918) is 2,3-dipyridin-2-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2,3-dipyridin-2-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2,3-dipyridin-2-ylpyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2ccccn2)c1-c1ccccn1.
What is the InChIKey of 2,3-dipyridin-2-ylpyridine-4-carboxylic acid?
The InChIKey is NYRFFGWNAOUJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c20-16(21)11-7-10-19-15(13-6-2-4-9-18-13)14(11)12-5-1-3-8-17-12/h1-10H,(H,20,21).
What are the key properties of 2,3-dipyridin-2-ylpyridine-4-carboxylic acid?
2,3-dipyridin-2-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 2,3-dipyridin-2-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 56608918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).