dipyridin-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

C19H16N2O4 — CID 67291878

IUPACdipyridin-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
SMILESO=C(Oc1ccccn1)C1C2C=CC(C2)C1C(=O)Oc1ccccn1
InChIInChI=1S/C19H16N2O4/c22-18(24-14-5-1-3-9-20-14)16-12-7-8-13(11-12)17(16)19(23)25-15-6-2-4-10-21-15/h1-10,12-13,16-17H,11H2
InChIKeyBICDWARHSWQXHX-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.43
Rot. Bonds4

About dipyridin-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

dipyridin-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate (PubChem CID 67291878) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is dipyridin-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.

Molecular Properties

Compound Namedipyridin-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
PubChem CID67291878
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Namedipyridin-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
SMILESO=C(Oc1ccccn1)C1C2C=CC(C2)C1C(=O)Oc1ccccn1
InChIInChI=1S/C19H16N2O4/c22-18(24-14-5-1-3-9-20-14)16-12-7-8-13(11-12)17(16)19(23)25-15-6-2-4-10-21-15/h1-10,12-13,16-17H,11H2
InChIKeyBICDWARHSWQXHX-UHFFFAOYSA-N
XLogP2.43
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

pyridin-2-yl cyclopropanecarboxylate
CID 135376948
potassium;hydride;pyridin-2-yl cyclobutanecarboxylate
CID 175231447
dipyridin-2-yl carbonate
CID 2757370
pyridin-2-yl piperidine-4-carboxylate;hydrochloride
CID 174342486
[(1S,2S,3S,4R)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]-pyridin-2-ylmethanone
CID 102003805
pyridin-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 2913239
[(1R,2R,3R,4S)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]-pyridin-2-ylmethanone
CID 102003806
[(1R,5S)-3-bicyclo[3.1.0]hexanyl] pyridin-2-yl carbonate
CID 90132201
bis(3-methylphenyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 142748160
[(1S,2S,3S,4R)-3-(4-chlorophenyl)-2-bicyclo[2.2.1]hept-5-enyl]-pyridin-2-ylmethanone
CID 102003803
pyridin-2-yl 2-hydroxypiperidine-1-carboxylate
CID 175770002
pyridin-2-yl N-(azetidin-3-yl)carbamate
CID 175981988

Frequently Asked Questions

What is the IUPAC name of dipyridin-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The IUPAC name of dipyridin-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate (CID 67291878) is dipyridin-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.
What is the SMILES notation for dipyridin-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The canonical SMILES for dipyridin-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate is O=C(Oc1ccccn1)C1C2C=CC(C2)C1C(=O)Oc1ccccn1.
What is the InChIKey of dipyridin-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The InChIKey is BICDWARHSWQXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c22-18(24-14-5-1-3-9-20-14)16-12-7-8-13(11-12)17(16)19(23)25-15-6-2-4-10-21-15/h1-10,12-13,16-17H,11H2.
What are the key properties of dipyridin-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
dipyridin-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate has a molecular weight of 336.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipyridin-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate is sourced from PubChem (CID 67291878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).