N-(2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)pyridin-2-amine

C15H13F3N2 — CID 2097688

IUPACN-(2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(Nc2ccc3c(c2)CCC3)nc1
InChIInChI=1S/C15H13F3N2/c16-15(17,18)12-5-7-14(19-9-12)20-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H,19,20)
InChIKeyAUUUSVCEELAACB-UHFFFAOYSA-N
MW278.28 g/mol
LogP4.33
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)pyridin-2-amine

N-(2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 2097688) has the molecular formula C15H13F3N2 and a molecular weight of 278.28 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID2097688
Molecular FormulaC15H13F3N2
Molecular Weight278.28 g/mol
Exact Mass278.10
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(Nc2ccc3c(c2)CCC3)nc1
InChIInChI=1S/C15H13F3N2/c16-15(17,18)12-5-7-14(19-9-12)20-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H,19,20)
InChIKeyAUUUSVCEELAACB-UHFFFAOYSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)pyridin-2-amine (CID 2097688) is N-(2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(Nc2ccc3c(c2)CCC3)nc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is AUUUSVCEELAACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2/c16-15(17,18)12-5-7-14(19-9-12)20-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H,19,20).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)pyridin-2-amine?
N-(2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 278.28 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 2097688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).