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

C14H12N2O2 — CID 83919432

IUPAC5-cyclopropyl-2-pyridin-2-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)cnc1-c1ccccn1
InChIInChI=1S/C14H12N2O2/c17-14(18)11-7-10(9-4-5-9)8-16-13(11)12-3-1-2-6-15-12/h1-3,6-9H,4-5H2,(H,17,18)
InChIKeyNEWZKHYAHDDCHL-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.72
Rot. Bonds3

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

5-cyclopropyl-2-pyridin-2-ylpyridine-3-carboxylic acid (PubChem CID 83919432) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-cyclopropyl-2-pyridin-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-pyridin-2-ylpyridine-3-carboxylic acid
PubChem CID83919432
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name5-cyclopropyl-2-pyridin-2-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)cnc1-c1ccccn1
InChIInChI=1S/C14H12N2O2/c17-14(18)11-7-10(9-4-5-9)8-16-13(11)12-3-1-2-6-15-12/h1-3,6-9H,4-5H2,(H,17,18)
InChIKeyNEWZKHYAHDDCHL-UHFFFAOYSA-N
XLogP2.72
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-pyridin-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-pyridin-2-ylpyridine-3-carboxylic acid (CID 83919432) is 5-cyclopropyl-2-pyridin-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-pyridin-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-pyridin-2-ylpyridine-3-carboxylic acid is O=C(O)c1cc(C2CC2)cnc1-c1ccccn1.
What is the InChIKey of 5-cyclopropyl-2-pyridin-2-ylpyridine-3-carboxylic acid?
The InChIKey is NEWZKHYAHDDCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-14(18)11-7-10(9-4-5-9)8-16-13(11)12-3-1-2-6-15-12/h1-3,6-9H,4-5H2,(H,17,18).
What are the key properties of 5-cyclopropyl-2-pyridin-2-ylpyridine-3-carboxylic acid?
5-cyclopropyl-2-pyridin-2-ylpyridine-3-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-pyridin-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 83919432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).