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

C14H11ClF3N3 — CID 176884695

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-5-amine
SMILESNc1ccc2c(c1)CCN2c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H11ClF3N3/c15-11-6-9(14(16,17)18)7-20-13(11)21-4-3-8-5-10(19)1-2-12(8)21/h1-2,5-7H,3-4,19H2
InChIKeyOWVNAPPTQMYBFP-UHFFFAOYSA-N
MW313.71 g/mol
LogP4.03
Rot. Bonds1

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

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-5-amine (PubChem CID 176884695) has the molecular formula C14H11ClF3N3 and a molecular weight of 313.71 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-5-amine.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-5-amine
PubChem CID176884695
Molecular FormulaC14H11ClF3N3
Molecular Weight313.71 g/mol
Exact Mass313.06
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-5-amine
SMILESNc1ccc2c(c1)CCN2c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H11ClF3N3/c15-11-6-9(14(16,17)18)7-20-13(11)21-4-3-8-5-10(19)1-2-12(8)21/h1-2,5-7H,3-4,19H2
InChIKeyOWVNAPPTQMYBFP-UHFFFAOYSA-N
XLogP4.03
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-5-amine?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-5-amine (CID 176884695) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-5-amine.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-5-amine?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-5-amine is Nc1ccc2c(c1)CCN2c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-5-amine?
The InChIKey is OWVNAPPTQMYBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3/c15-11-6-9(14(16,17)18)7-20-13(11)21-4-3-8-5-10(19)1-2-12(8)21/h1-2,5-7H,3-4,19H2.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-5-amine?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-5-amine has a molecular weight of 313.71 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-5-amine is sourced from PubChem (CID 176884695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).