3-(2H-azulen-2-id-1-yl)-2H-pyridin-2-ide;(Z)-4-hydroxypent-3-en-2-one;iridium

C20H17IrNO2-2 — CID 59661438

IUPAC3-(2H-azulen-2-id-1-yl)-2H-pyridin-2-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
SMILESCC(=O)/C=C(/C)O.[Ir].[c-]1ncccc1-c1[c-]cc2cccccc1-2
InChIInChI=1S/C15H9N.C5H8O2.Ir/c1-2-5-12-8-9-15(14(12)7-3-1)13-6-4-10-16-11-13;1-4(6)3-5(2)7;/h1-8,10H;3,6H,1-2H3;/q-2;;/b;4-3-;
InChIKeyPNHAYJUVMDMEOE-LWFKIUJUSA-N
MW495.58 g/mol
LogP4.49
Rot. Bonds2

About 3-(2H-azulen-2-id-1-yl)-2H-pyridin-2-ide;(Z)-4-hydroxypent-3-en-2-one;iridium

3-(2H-azulen-2-id-1-yl)-2H-pyridin-2-ide;(Z)-4-hydroxypent-3-en-2-one;iridium (PubChem CID 59661438) has the molecular formula C20H17IrNO2-2 and a molecular weight of 495.58 g/mol. Its IUPAC name is 3-(2H-azulen-2-id-1-yl)-2H-pyridin-2-ide;(Z)-4-hydroxypent-3-en-2-one;iridium.

Molecular Properties

Compound Name3-(2H-azulen-2-id-1-yl)-2H-pyridin-2-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
PubChem CID59661438
Molecular FormulaC20H17IrNO2-2
Molecular Weight495.58 g/mol
Exact Mass496.09
IUPAC Name3-(2H-azulen-2-id-1-yl)-2H-pyridin-2-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
SMILESCC(=O)/C=C(/C)O.[Ir].[c-]1ncccc1-c1[c-]cc2cccccc1-2
InChIInChI=1S/C15H9N.C5H8O2.Ir/c1-2-5-12-8-9-15(14(12)7-3-1)13-6-4-10-16-11-13;1-4(6)3-5(2)7;/h1-8,10H;3,6H,1-2H3;/q-2;;/b;4-3-;
InChIKeyPNHAYJUVMDMEOE-LWFKIUJUSA-N
XLogP4.49
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(2H-azulen-2-id-1-yl)-2H-pyridin-2-ide;(Z)-4-hydroxypent-3-en-2-one;iridium with MolForge

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

Launch Full Analysis

Related Compounds

4-hydroxypent-3-en-2-one;phenylbenzene;platinum(2+)
CID 158441264
4-hydroxypent-3-en-2-one;iridium;3-(4-phenylbenzene-6-id-1-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 152910869
(Z)-4-hydroxypent-3-en-2-one;2-phenylpyridine;rhodium
CID 58099744
4-hydroxypent-3-en-2-one;pyridine-2-carboxylic acid
CID 77413550
iridium(3+);bis(3-phenyl-2H-pyridin-2-ide)
CID 175918735
4-hydroxypent-3-en-2-one;bis(iridium);3-phenyl-[1,2]thiazolo[4,5-c]pyridine;bis(3-phenyl-[1,2]thiazolo[4,5-c]pyridine)
CID 158242954
4-hydroxypent-3-en-2-one;iridium;pentafluoro-(4-pyridin-2-ylbenzene-5-id-1-yl)-λ6-sulfane
CID 152840159
bis(2-(4-ethynylbenzene-6-id-1-yl)pyridine);(Z)-4-hydroxypent-3-en-2-one;iridium
CID 139249289
4-fluoro-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-one);tris(iridium);2-[4-(2-methylphenyl)benzene-6-id-1-yl]pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine
CID 158770789
4-hydroxypent-3-en-2-one;pentakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;tetrakis(2-(3-methylbenzene-6-id-1-yl)pyridine);tris(4-methyl-5-phenyl-2-phenylpyridine)
CID 161433319
ethene;bis((E)-4-hydroxypent-3-en-2-one);iridium;pyridine
CID 11634665
5-(2,6-dimethylphenyl)-2-phenylpyrimidine;bis(4-hydroxypent-3-en-2-one);bis(iridium);5-phenyl-2-phenylpyrimidine
CID 159349162

Frequently Asked Questions

What is the IUPAC name of 3-(2H-azulen-2-id-1-yl)-2H-pyridin-2-ide;(Z)-4-hydroxypent-3-en-2-one;iridium?
The IUPAC name of 3-(2H-azulen-2-id-1-yl)-2H-pyridin-2-ide;(Z)-4-hydroxypent-3-en-2-one;iridium (CID 59661438) is 3-(2H-azulen-2-id-1-yl)-2H-pyridin-2-ide;(Z)-4-hydroxypent-3-en-2-one;iridium.
What is the SMILES notation for 3-(2H-azulen-2-id-1-yl)-2H-pyridin-2-ide;(Z)-4-hydroxypent-3-en-2-one;iridium?
The canonical SMILES for 3-(2H-azulen-2-id-1-yl)-2H-pyridin-2-ide;(Z)-4-hydroxypent-3-en-2-one;iridium is CC(=O)/C=C(/C)O.[Ir].[c-]1ncccc1-c1[c-]cc2cccccc1-2.
What is the InChIKey of 3-(2H-azulen-2-id-1-yl)-2H-pyridin-2-ide;(Z)-4-hydroxypent-3-en-2-one;iridium?
The InChIKey is PNHAYJUVMDMEOE-LWFKIUJUSA-N. The full InChI is InChI=1S/C15H9N.C5H8O2.Ir/c1-2-5-12-8-9-15(14(12)7-3-1)13-6-4-10-16-11-13;1-4(6)3-5(2)7;/h1-8,10H;3,6H,1-2H3;/q-2;;/b;4-3-;.
What are the key properties of 3-(2H-azulen-2-id-1-yl)-2H-pyridin-2-ide;(Z)-4-hydroxypent-3-en-2-one;iridium?
3-(2H-azulen-2-id-1-yl)-2H-pyridin-2-ide;(Z)-4-hydroxypent-3-en-2-one;iridium has a molecular weight of 495.58 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-azulen-2-id-1-yl)-2H-pyridin-2-ide;(Z)-4-hydroxypent-3-en-2-one;iridium is sourced from PubChem (CID 59661438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).