iridium;[6-(phenoxy)-2-pyridinyl]methanamine

C12H11IrN2O- — CID 58107020

IUPACiridium;[6-(phenoxy)-2-pyridinyl]methanamine
SMILESNCc1cccc(Oc2[c-]cccc2)n1.[Ir]
InChIInChI=1S/C12H11N2O.Ir/c13-9-10-5-4-8-12(14-10)15-11-6-2-1-3-7-11;/h1-6,8H,9,13H2;/q-1;
InChIKeyITMXFJLQPDFSQL-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.13
Rot. Bonds3

About iridium;[6-(phenoxy)-2-pyridinyl]methanamine

iridium;[6-(phenoxy)-2-pyridinyl]methanamine (PubChem CID 58107020) has the molecular formula C12H11IrN2O- and a molecular weight of 391.45 g/mol. Its IUPAC name is iridium;[6-(phenoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Nameiridium;[6-(phenoxy)-2-pyridinyl]methanamine
PubChem CID58107020
Molecular FormulaC12H11IrN2O-
Molecular Weight391.45 g/mol
Exact Mass392.05
IUPAC Nameiridium;[6-(phenoxy)-2-pyridinyl]methanamine
SMILESNCc1cccc(Oc2[c-]cccc2)n1.[Ir]
InChIInChI=1S/C12H11N2O.Ir/c13-9-10-5-4-8-12(14-10)15-11-6-2-1-3-7-11;/h1-6,8H,9,13H2;/q-1;
InChIKeyITMXFJLQPDFSQL-UHFFFAOYSA-N
XLogP2.13
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[6-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methanamine
CID 62296897
[6-(4-propan-2-ylphenoxy)-2-pyridinyl]methanamine
CID 62295869
[6-(3,4-dichlorophenoxy)-2-pyridinyl]methanamine
CID 62322079
[6-(cyclopropylmethoxy)-2-pyridinyl]methanamine
CID 62291669
[6-(2,3-difluorophenoxy)-2-pyridinyl]methanamine
CID 63035930
[6-(2,4-dibromophenoxy)-2-pyridinyl]methanamine
CID 64719282
[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methanamine
CID 82828361
(6-pentoxy-2-pyridinyl)methanamine
CID 62292615
CID 58107055
CID 58107055
(6-cycloheptyloxy-2-pyridinyl)methanamine
CID 62297875
[6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanamine
CID 66275408
[6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine
CID 113443515

Frequently Asked Questions

What is the IUPAC name of iridium;[6-(phenoxy)-2-pyridinyl]methanamine?
The IUPAC name of iridium;[6-(phenoxy)-2-pyridinyl]methanamine (CID 58107020) is iridium;[6-(phenoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for iridium;[6-(phenoxy)-2-pyridinyl]methanamine?
The canonical SMILES for iridium;[6-(phenoxy)-2-pyridinyl]methanamine is NCc1cccc(Oc2[c-]cccc2)n1.[Ir].
What is the InChIKey of iridium;[6-(phenoxy)-2-pyridinyl]methanamine?
The InChIKey is ITMXFJLQPDFSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N2O.Ir/c13-9-10-5-4-8-12(14-10)15-11-6-2-1-3-7-11;/h1-6,8H,9,13H2;/q-1;.
What are the key properties of iridium;[6-(phenoxy)-2-pyridinyl]methanamine?
iridium;[6-(phenoxy)-2-pyridinyl]methanamine has a molecular weight of 391.45 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;[6-(phenoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 58107020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).