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

C14H11F3N2 — CID 171327222

IUPAC2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroisoindole
SMILESFC(F)(F)c1ccc(N2Cc3ccccc3C2)nc1
InChIInChI=1S/C14H11F3N2/c15-14(16,17)12-5-6-13(18-7-12)19-8-10-3-1-2-4-11(10)9-19/h1-7H,8-9H2
InChIKeyFDJWXNASPHGHMY-UHFFFAOYSA-N
MW264.25 g/mol
LogP3.62
Rot. Bonds1

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

2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroisoindole (PubChem CID 171327222) has the molecular formula C14H11F3N2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroisoindole
PubChem CID171327222
Molecular FormulaC14H11F3N2
Molecular Weight264.25 g/mol
Exact Mass264.09
IUPAC Name2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroisoindole
SMILESFC(F)(F)c1ccc(N2Cc3ccccc3C2)nc1
InChIInChI=1S/C14H11F3N2/c15-14(16,17)12-5-6-13(18-7-12)19-8-10-3-1-2-4-11(10)9-19/h1-7H,8-9H2
InChIKeyFDJWXNASPHGHMY-UHFFFAOYSA-N
XLogP3.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121183263
3,4-dihydro-1H-isoquinolin-2-yl-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 35811782
(3S)-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 133270447
1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride
CID 91623900
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
(3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 67046038
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 3702315
1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 78782251
1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 2760779

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroisoindole (CID 171327222) is 2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroisoindole is FC(F)(F)c1ccc(N2Cc3ccccc3C2)nc1.
What is the InChIKey of 2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroisoindole?
The InChIKey is FDJWXNASPHGHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2/c15-14(16,17)12-5-6-13(18-7-12)19-8-10-3-1-2-4-11(10)9-19/h1-7H,8-9H2.
What are the key properties of 2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroisoindole?
2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroisoindole has a molecular weight of 264.25 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroisoindole is sourced from PubChem (CID 171327222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).