iridium;10H-isochromeno[4,3-b]pyridin-10-id-6-one

C12H6IrNO2- — CID 59302087

IUPACiridium;10H-isochromeno[4,3-b]pyridin-10-id-6-one
SMILESO=c1oc2cccnc2c2[c-]cccc12.[Ir]
InChIInChI=1S/C12H6NO2.Ir/c14-12-9-5-2-1-4-8(9)11-10(15-12)6-3-7-13-11;/h1-3,5-7H;/q-1;
InChIKeyFLQISNJWKJYGKZ-UHFFFAOYSA-N
MW388.40 g/mol
LogP2.14
Rot. Bonds

About iridium;10H-isochromeno[4,3-b]pyridin-10-id-6-one

iridium;10H-isochromeno[4,3-b]pyridin-10-id-6-one (PubChem CID 59302087) has the molecular formula C12H6IrNO2- and a molecular weight of 388.40 g/mol. Its IUPAC name is iridium;10H-isochromeno[4,3-b]pyridin-10-id-6-one.

Molecular Properties

Compound Nameiridium;10H-isochromeno[4,3-b]pyridin-10-id-6-one
PubChem CID59302087
Molecular FormulaC12H6IrNO2-
Molecular Weight388.40 g/mol
Exact Mass389.00
IUPAC Nameiridium;10H-isochromeno[4,3-b]pyridin-10-id-6-one
SMILESO=c1oc2cccnc2c2[c-]cccc12.[Ir]
InChIInChI=1S/C12H6NO2.Ir/c14-12-9-5-2-1-4-8(9)11-10(15-12)6-3-7-13-11;/h1-3,5-7H;/q-1;
InChIKeyFLQISNJWKJYGKZ-UHFFFAOYSA-N
XLogP2.14
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Pyridin-3-yl benzoate
CID 569697
Ethyl 2-(5-ethoxypyridin-2-yl)acetate
CID 86767455
Chromeno[4,3-c]pyridin-5-one
CID 13433034
Pyranopyridone
CID 10909713
Isochromeno[4,3-b]pyridin-6-one
CID 11229366
5H-[1]Benzopyrano[3,4-b]pyridin-5-one
CID 12377596
Quinolin-3-yl benzoate
CID 12858324
Furo[3,2-B]pyridin-2(3H)-one
CID 13384344
2,3-Dihydro-4H-pyrano[3,2-b]pyridin-4-one
CID 45079620
3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carbaldehyde
CID 56640311
Vinylpyridine methacrylate
CID 129695954
iridium;7-(trifluoromethyl)-10H-isochromeno[4,3-b]pyridin-10-id-6-one
CID 59342953

Frequently Asked Questions

What is the IUPAC name of iridium;10H-isochromeno[4,3-b]pyridin-10-id-6-one?
The IUPAC name of iridium;10H-isochromeno[4,3-b]pyridin-10-id-6-one (CID 59302087) is iridium;10H-isochromeno[4,3-b]pyridin-10-id-6-one.
What is the SMILES notation for iridium;10H-isochromeno[4,3-b]pyridin-10-id-6-one?
The canonical SMILES for iridium;10H-isochromeno[4,3-b]pyridin-10-id-6-one is O=c1oc2cccnc2c2[c-]cccc12.[Ir].
What is the InChIKey of iridium;10H-isochromeno[4,3-b]pyridin-10-id-6-one?
The InChIKey is FLQISNJWKJYGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6NO2.Ir/c14-12-9-5-2-1-4-8(9)11-10(15-12)6-3-7-13-11;/h1-3,5-7H;/q-1;.
What are the key properties of iridium;10H-isochromeno[4,3-b]pyridin-10-id-6-one?
iridium;10H-isochromeno[4,3-b]pyridin-10-id-6-one has a molecular weight of 388.40 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;10H-isochromeno[4,3-b]pyridin-10-id-6-one is sourced from PubChem (CID 59302087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).