(5-iodo-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone

C15H8F3IN2O — CID 178155287

IUPAC(5-iodo-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)n1)c1c[nH]c2ccc(I)cc12
InChIInChI=1S/C15H8F3IN2O/c16-15(17,18)13-3-1-2-12(21-13)14(22)10-7-20-11-5-4-8(19)6-9(10)11/h1-7,20H
InChIKeyLSESBUKCNKCJRE-UHFFFAOYSA-N
MW416.14 g/mol
LogP4.42
Rot. Bonds2

About (5-iodo-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone

(5-iodo-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 178155287) has the molecular formula C15H8F3IN2O and a molecular weight of 416.14 g/mol. Its IUPAC name is (5-iodo-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(5-iodo-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID178155287
Molecular FormulaC15H8F3IN2O
Molecular Weight416.14 g/mol
Exact Mass415.96
IUPAC Name(5-iodo-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)n1)c1c[nH]c2ccc(I)cc12
InChIInChI=1S/C15H8F3IN2O/c16-15(17,18)13-3-1-2-12(21-13)14(22)10-7-20-11-5-4-8(19)6-9(10)11/h1-7,20H
InChIKeyLSESBUKCNKCJRE-UHFFFAOYSA-N
XLogP4.42
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.14
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-iodo-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of (5-iodo-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone (CID 178155287) is (5-iodo-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (5-iodo-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for (5-iodo-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone is O=C(c1cccc(C(F)(F)F)n1)c1c[nH]c2ccc(I)cc12.
What is the InChIKey of (5-iodo-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is LSESBUKCNKCJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3IN2O/c16-15(17,18)13-3-1-2-12(21-13)14(22)10-7-20-11-5-4-8(19)6-9(10)11/h1-7,20H.
What are the key properties of (5-iodo-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone?
(5-iodo-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 416.14 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodo-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 178155287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).