6-(3-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxylic acid

C16H11N3O2 — CID 68543188

IUPAC6-(3-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ncccc2-c2ccccn2)nc1
InChIInChI=1S/C16H11N3O2/c20-16(21)11-6-7-14(19-10-11)15-12(4-3-9-18-15)13-5-1-2-8-17-13/h1-10H,(H,20,21)
InChIKeyMRXMAMBXOFMIQG-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.90
Rot. Bonds3

About 6-(3-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxylic acid

6-(3-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxylic acid (PubChem CID 68543188) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 6-(3-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxylic acid
PubChem CID68543188
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name6-(3-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ncccc2-c2ccccn2)nc1
InChIInChI=1S/C16H11N3O2/c20-16(21)11-6-7-14(19-10-11)15-12(4-3-9-18-15)13-5-1-2-8-17-13/h1-10H,(H,20,21)
InChIKeyMRXMAMBXOFMIQG-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 6-(3-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxylic acid (CID 68543188) is 6-(3-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2ncccc2-c2ccccn2)nc1.
What is the InChIKey of 6-(3-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxylic acid?
The InChIKey is MRXMAMBXOFMIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c20-16(21)11-6-7-14(19-10-11)15-12(4-3-9-18-15)13-5-1-2-8-17-13/h1-10H,(H,20,21).
What are the key properties of 6-(3-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxylic acid?
6-(3-pyridin-2-yl-2-pyridinyl)pyridine-3-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 6-(3-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 68543188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).