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

C15H7Cl2F3N2O — CID 178155369

IUPAC(5,6-dichloro-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)n1)c1c[nH]c2cc(Cl)c(Cl)cc12
InChIInChI=1S/C15H7Cl2F3N2O/c16-9-4-7-8(6-21-12(7)5-10(9)17)14(23)11-2-1-3-13(22-11)15(18,19)20/h1-6,21H
InChIKeyCTLGMYBCUFGDEU-UHFFFAOYSA-N
MW359.13 g/mol
LogP5.12
Rot. Bonds2

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

(5,6-dichloro-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 178155369) has the molecular formula C15H7Cl2F3N2O and a molecular weight of 359.13 g/mol. Its IUPAC name is (5,6-dichloro-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(5,6-dichloro-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID178155369
Molecular FormulaC15H7Cl2F3N2O
Molecular Weight359.13 g/mol
Exact Mass357.99
IUPAC Name(5,6-dichloro-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)n1)c1c[nH]c2cc(Cl)c(Cl)cc12
InChIInChI=1S/C15H7Cl2F3N2O/c16-9-4-7-8(6-21-12(7)5-10(9)17)14(23)11-2-1-3-13(22-11)15(18,19)20/h1-6,21H
InChIKeyCTLGMYBCUFGDEU-UHFFFAOYSA-N
XLogP5.12
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.13
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-iodo-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
CID 178155287
(4-bromo-5-methoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
CID 178155315
(4,7-dimethoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
CID 178155365
6-(trifluoromethyl)pyridine-2-carbonyl fluoride
CID 174756442
2-(6-chloro-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 158850062
(3-chloro-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 81266663
(3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81267214
(3,5-dichlorophenyl) 6-(trifluoromethyl)pyridine-2-carboxylate
CID 2746361
(6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone
CID 81265814
N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 171677155
2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 67968360
(5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone
CID 63877670

Frequently Asked Questions

What is the IUPAC name of (5,6-dichloro-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of (5,6-dichloro-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone (CID 178155369) is (5,6-dichloro-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (5,6-dichloro-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for (5,6-dichloro-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone is O=C(c1cccc(C(F)(F)F)n1)c1c[nH]c2cc(Cl)c(Cl)cc12.
What is the InChIKey of (5,6-dichloro-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is CTLGMYBCUFGDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2F3N2O/c16-9-4-7-8(6-21-12(7)5-10(9)17)14(23)11-2-1-3-13(22-11)15(18,19)20/h1-6,21H.
What are the key properties of (5,6-dichloro-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone?
(5,6-dichloro-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 359.13 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dichloro-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 178155369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).