4-deuterio-2-(2-ethyl-3-methylbenzene-6-id-1-yl)pyridine;iridium

C14H14IrN- — CID 169291483

IUPAC4-deuterio-2-(2-ethyl-3-methylbenzene-6-id-1-yl)pyridine;iridium
SMILES[2H]c1ccnc(-c2[c-]ccc(C)c2CC)c1.[Ir]
InChIInChI=1S/C14H14N.Ir/c1-3-12-11(2)7-6-8-13(12)14-9-4-5-10-15-14;/h4-7,9-10H,3H2,1-2H3;/q-1;/i4D;
InChIKeyADYRKXBPTXBXTI-BCVNIXSYSA-N
MW389.50 g/mol
LogP3.42
Rot. Bonds2

About 4-deuterio-2-(2-ethyl-3-methylbenzene-6-id-1-yl)pyridine;iridium

4-deuterio-2-(2-ethyl-3-methylbenzene-6-id-1-yl)pyridine;iridium (PubChem CID 169291483) has the molecular formula C14H14IrN- and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-deuterio-2-(2-ethyl-3-methylbenzene-6-id-1-yl)pyridine;iridium.

Molecular Properties

Compound Name4-deuterio-2-(2-ethyl-3-methylbenzene-6-id-1-yl)pyridine;iridium
PubChem CID169291483
Molecular FormulaC14H14IrN-
Molecular Weight389.50 g/mol
Exact Mass390.08
IUPAC Name4-deuterio-2-(2-ethyl-3-methylbenzene-6-id-1-yl)pyridine;iridium
SMILES[2H]c1ccnc(-c2[c-]ccc(C)c2CC)c1.[Ir]
InChIInChI=1S/C14H14N.Ir/c1-3-12-11(2)7-6-8-13(12)14-9-4-5-10-15-14;/h4-7,9-10H,3H2,1-2H3;/q-1;/i4D;
InChIKeyADYRKXBPTXBXTI-BCVNIXSYSA-N
XLogP3.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethene;2-(2-ethyl-3-methylbenzene-6-id-1-yl)-4-methylpyridine;iridium(3+);methylideneazanide
CID 168745361
2-chloro-3-ethyl-4-methylpyridine
CID 89372274
iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine)
CID 168726074
2-(2-fluorobenzene-6-id-1-yl)pyridine;iridium
CID 21044153
iridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione
CID 164702305
iridium;2-(2-methylbenzene-6-id-1-yl)pyridine;(2,2,2-trifluoro-1-hydroxyethylidene)oxidanium
CID 58986704
4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine
CID 63613489
iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 156686689
bis(2-(2-naphthalen-1-ylbenzene-6-id-1-yl)pyridine);platinum(2+)
CID 58939493
iridium;3-(3-methylbenzene-6-id-1-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;2-pyridin-2-ylpyridine
CID 59621959
propane;2-pyridin-2-ylpyridine
CID 158168510
iridium;triethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)phosphanium
CID 59782033

Frequently Asked Questions

What is the IUPAC name of 4-deuterio-2-(2-ethyl-3-methylbenzene-6-id-1-yl)pyridine;iridium?
The IUPAC name of 4-deuterio-2-(2-ethyl-3-methylbenzene-6-id-1-yl)pyridine;iridium (CID 169291483) is 4-deuterio-2-(2-ethyl-3-methylbenzene-6-id-1-yl)pyridine;iridium.
What is the SMILES notation for 4-deuterio-2-(2-ethyl-3-methylbenzene-6-id-1-yl)pyridine;iridium?
The canonical SMILES for 4-deuterio-2-(2-ethyl-3-methylbenzene-6-id-1-yl)pyridine;iridium is [2H]c1ccnc(-c2[c-]ccc(C)c2CC)c1.[Ir].
What is the InChIKey of 4-deuterio-2-(2-ethyl-3-methylbenzene-6-id-1-yl)pyridine;iridium?
The InChIKey is ADYRKXBPTXBXTI-BCVNIXSYSA-N. The full InChI is InChI=1S/C14H14N.Ir/c1-3-12-11(2)7-6-8-13(12)14-9-4-5-10-15-14;/h4-7,9-10H,3H2,1-2H3;/q-1;/i4D;.
What are the key properties of 4-deuterio-2-(2-ethyl-3-methylbenzene-6-id-1-yl)pyridine;iridium?
4-deuterio-2-(2-ethyl-3-methylbenzene-6-id-1-yl)pyridine;iridium has a molecular weight of 389.50 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-2-(2-ethyl-3-methylbenzene-6-id-1-yl)pyridine;iridium is sourced from PubChem (CID 169291483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).