1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole

C14H10ClF3N2 — CID 53408255

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole
SMILESFC(F)(F)c1cnc(N2CCc3ccccc32)c(Cl)c1
InChIInChI=1S/C14H10ClF3N2/c15-11-7-10(14(16,17)18)8-19-13(11)20-6-5-9-3-1-2-4-12(9)20/h1-4,7-8H,5-6H2
InChIKeyPOEANEQEVYSCLJ-UHFFFAOYSA-N
MW298.70 g/mol
LogP4.45
Rot. Bonds1

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole (PubChem CID 53408255) has the molecular formula C14H10ClF3N2 and a molecular weight of 298.70 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole
PubChem CID53408255
Molecular FormulaC14H10ClF3N2
Molecular Weight298.70 g/mol
Exact Mass298.05
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole
SMILESFC(F)(F)c1cnc(N2CCc3ccccc32)c(Cl)c1
InChIInChI=1S/C14H10ClF3N2/c15-11-7-10(14(16,17)18)8-19-13(11)20-6-5-9-3-1-2-4-12(9)20/h1-4,7-8H,5-6H2
InChIKeyPOEANEQEVYSCLJ-UHFFFAOYSA-N
XLogP4.45
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.70
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole (CID 53408255) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole is FC(F)(F)c1cnc(N2CCc3ccccc32)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole?
The InChIKey is POEANEQEVYSCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2/c15-11-7-10(14(16,17)18)8-19-13(11)20-6-5-9-3-1-2-4-12(9)20/h1-4,7-8H,5-6H2.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole has a molecular weight of 298.70 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole is sourced from PubChem (CID 53408255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).