2-pyridin-2-yl-6-pyridin-3-ylpyridine-4-carboxylic acid

C16H11N3O2 — CID 162665504

IUPAC2-pyridin-2-yl-6-pyridin-3-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccnc2)nc(-c2ccccn2)c1
InChIInChI=1S/C16H11N3O2/c20-16(21)12-8-14(11-4-3-6-17-10-11)19-15(9-12)13-5-1-2-7-18-13/h1-10H,(H,20,21)
InChIKeyLOXPTFUGNYRYCA-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.90
Rot. Bonds3

About 2-pyridin-2-yl-6-pyridin-3-ylpyridine-4-carboxylic acid

2-pyridin-2-yl-6-pyridin-3-ylpyridine-4-carboxylic acid (PubChem CID 162665504) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-pyridin-2-yl-6-pyridin-3-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-pyridin-2-yl-6-pyridin-3-ylpyridine-4-carboxylic acid
PubChem CID162665504
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name2-pyridin-2-yl-6-pyridin-3-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccnc2)nc(-c2ccccn2)c1
InChIInChI=1S/C16H11N3O2/c20-16(21)12-8-14(11-4-3-6-17-10-11)19-15(9-12)13-5-1-2-7-18-13/h1-10H,(H,20,21)
InChIKeyLOXPTFUGNYRYCA-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-pyridin-2-yl-6-pyridin-3-ylpyridine-4-carboxylic acid?
The IUPAC name of 2-pyridin-2-yl-6-pyridin-3-ylpyridine-4-carboxylic acid (CID 162665504) is 2-pyridin-2-yl-6-pyridin-3-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-pyridin-2-yl-6-pyridin-3-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2-pyridin-2-yl-6-pyridin-3-ylpyridine-4-carboxylic acid is O=C(O)c1cc(-c2cccnc2)nc(-c2ccccn2)c1.
What is the InChIKey of 2-pyridin-2-yl-6-pyridin-3-ylpyridine-4-carboxylic acid?
The InChIKey is LOXPTFUGNYRYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c20-16(21)12-8-14(11-4-3-6-17-10-11)19-15(9-12)13-5-1-2-7-18-13/h1-10H,(H,20,21).
What are the key properties of 2-pyridin-2-yl-6-pyridin-3-ylpyridine-4-carboxylic acid?
2-pyridin-2-yl-6-pyridin-3-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-pyridin-2-yl-6-pyridin-3-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 162665504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).