4-ethyl-2-phenylpyridine;fluoroform;iridium

C14H14F3IrN — CID 174671800

IUPAC4-ethyl-2-phenylpyridine;fluoroform;iridium
SMILESCCc1ccnc(-c2ccccc2)c1.FC(F)F.[Ir]
InChIInChI=1S/C13H13N.CHF3.Ir/c1-2-11-8-9-14-13(10-11)12-6-4-3-5-7-12;2-1(3)4;/h3-10H,2H2,1H3;1H;
InChIKeyRIVDBOMXFVOZSO-UHFFFAOYSA-N
MW445.48 g/mol
LogP4.49
Rot. Bonds2

About 4-ethyl-2-phenylpyridine;fluoroform;iridium

4-ethyl-2-phenylpyridine;fluoroform;iridium (PubChem CID 174671800) has the molecular formula C14H14F3IrN and a molecular weight of 445.48 g/mol. Its IUPAC name is 4-ethyl-2-phenylpyridine;fluoroform;iridium.

Molecular Properties

Compound Name4-ethyl-2-phenylpyridine;fluoroform;iridium
PubChem CID174671800
Molecular FormulaC14H14F3IrN
Molecular Weight445.48 g/mol
Exact Mass446.07
IUPAC Name4-ethyl-2-phenylpyridine;fluoroform;iridium
SMILESCCc1ccnc(-c2ccccc2)c1.FC(F)F.[Ir]
InChIInChI=1S/C13H13N.CHF3.Ir/c1-2-11-8-9-14-13(10-11)12-6-4-3-5-7-12;2-1(3)4;/h3-10H,2H2,1H3;1H;
InChIKeyRIVDBOMXFVOZSO-UHFFFAOYSA-N
XLogP4.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-phenylpyridine;fluoroform;iridium?
The IUPAC name of 4-ethyl-2-phenylpyridine;fluoroform;iridium (CID 174671800) is 4-ethyl-2-phenylpyridine;fluoroform;iridium.
What is the SMILES notation for 4-ethyl-2-phenylpyridine;fluoroform;iridium?
The canonical SMILES for 4-ethyl-2-phenylpyridine;fluoroform;iridium is CCc1ccnc(-c2ccccc2)c1.FC(F)F.[Ir].
What is the InChIKey of 4-ethyl-2-phenylpyridine;fluoroform;iridium?
The InChIKey is RIVDBOMXFVOZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.CHF3.Ir/c1-2-11-8-9-14-13(10-11)12-6-4-3-5-7-12;2-1(3)4;/h3-10H,2H2,1H3;1H;.
What are the key properties of 4-ethyl-2-phenylpyridine;fluoroform;iridium?
4-ethyl-2-phenylpyridine;fluoroform;iridium has a molecular weight of 445.48 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-phenylpyridine;fluoroform;iridium is sourced from PubChem (CID 174671800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).