5-pyridin-3-ylpyridine-2-carboxylic acid

C11H8N2O2 — CID 46316070

IUPAC5-pyridin-3-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccnc2)cn1
InChIInChI=1S/C11H8N2O2/c14-11(15)10-4-3-9(7-13-10)8-2-1-5-12-6-8/h1-7H,(H,14,15)
InChIKeyKEZVNXXJTWWOGL-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.84
Rot. Bonds2

About 5-pyridin-3-ylpyridine-2-carboxylic acid

5-pyridin-3-ylpyridine-2-carboxylic acid (PubChem CID 46316070) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 5-pyridin-3-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-pyridin-3-ylpyridine-2-carboxylic acid
PubChem CID46316070
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name5-pyridin-3-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccnc2)cn1
InChIInChI=1S/C11H8N2O2/c14-11(15)10-4-3-9(7-13-10)8-2-1-5-12-6-8/h1-7H,(H,14,15)
InChIKeyKEZVNXXJTWWOGL-UHFFFAOYSA-N
XLogP1.84
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-ylpyridine-2-carboxylic acid?
The IUPAC name of 5-pyridin-3-ylpyridine-2-carboxylic acid (CID 46316070) is 5-pyridin-3-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-pyridin-3-ylpyridine-2-carboxylic acid?
The canonical SMILES for 5-pyridin-3-ylpyridine-2-carboxylic acid is O=C(O)c1ccc(-c2cccnc2)cn1.
What is the InChIKey of 5-pyridin-3-ylpyridine-2-carboxylic acid?
The InChIKey is KEZVNXXJTWWOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c14-11(15)10-4-3-9(7-13-10)8-2-1-5-12-6-8/h1-7H,(H,14,15).
What are the key properties of 5-pyridin-3-ylpyridine-2-carboxylic acid?
5-pyridin-3-ylpyridine-2-carboxylic acid has a molecular weight of 200.20 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 46316070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).