5-(1,2-dihydroacenaphthylen-5-yl)pyridine-2-carboxylic acid

C18H13NO2 — CID 114939417

IUPAC5-(1,2-dihydroacenaphthylen-5-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc3c4c(cccc24)CC3)cn1
InChIInChI=1S/C18H13NO2/c20-18(21)16-9-7-13(10-19-16)14-8-6-12-5-4-11-2-1-3-15(14)17(11)12/h1-3,6-10H,4-5H2,(H,20,21)
InChIKeyUVEUKEMCJVSCRL-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.70
Rot. Bonds2

About 5-(1,2-dihydroacenaphthylen-5-yl)pyridine-2-carboxylic acid

5-(1,2-dihydroacenaphthylen-5-yl)pyridine-2-carboxylic acid (PubChem CID 114939417) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-(1,2-dihydroacenaphthylen-5-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,2-dihydroacenaphthylen-5-yl)pyridine-2-carboxylic acid
PubChem CID114939417
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name5-(1,2-dihydroacenaphthylen-5-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc3c4c(cccc24)CC3)cn1
InChIInChI=1S/C18H13NO2/c20-18(21)16-9-7-13(10-19-16)14-8-6-12-5-4-11-2-1-3-15(14)17(11)12/h1-3,6-10H,4-5H2,(H,20,21)
InChIKeyUVEUKEMCJVSCRL-UHFFFAOYSA-N
XLogP3.70
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(1,2-dihydroacenaphthylen-5-yl)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dihydroacenaphthylen-5-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(1,2-dihydroacenaphthylen-5-yl)pyridine-2-carboxylic acid (CID 114939417) is 5-(1,2-dihydroacenaphthylen-5-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(1,2-dihydroacenaphthylen-5-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(1,2-dihydroacenaphthylen-5-yl)pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2ccc3c4c(cccc24)CC3)cn1.
What is the InChIKey of 5-(1,2-dihydroacenaphthylen-5-yl)pyridine-2-carboxylic acid?
The InChIKey is UVEUKEMCJVSCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c20-18(21)16-9-7-13(10-19-16)14-8-6-12-5-4-11-2-1-3-15(14)17(11)12/h1-3,6-10H,4-5H2,(H,20,21).
What are the key properties of 5-(1,2-dihydroacenaphthylen-5-yl)pyridine-2-carboxylic acid?
5-(1,2-dihydroacenaphthylen-5-yl)pyridine-2-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dihydroacenaphthylen-5-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 114939417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).