2-(3,3,3-trifluoropropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C12H12F3N3 — CID 63226981

IUPAC2-(3,3,3-trifluoropropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1NCCC(F)(F)F)CCC2
InChIInChI=1S/C12H12F3N3/c13-12(14,15)4-5-17-11-9(7-16)6-8-2-1-3-10(8)18-11/h6H,1-5H2,(H,17,18)
InChIKeyCFAKQAMCHIIBHH-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.81
Rot. Bonds3

About 2-(3,3,3-trifluoropropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-(3,3,3-trifluoropropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 63226981) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID63226981
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name2-(3,3,3-trifluoropropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1NCCC(F)(F)F)CCC2
InChIInChI=1S/C12H12F3N3/c13-12(14,15)4-5-17-11-9(7-16)6-8-2-1-3-10(8)18-11/h6H,1-5H2,(H,17,18)
InChIKeyCFAKQAMCHIIBHH-UHFFFAOYSA-N
XLogP2.81
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(3,3,3-trifluoropropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 63226981) is 2-(3,3,3-trifluoropropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3,3,3-trifluoropropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(3,3,3-trifluoropropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1NCCC(F)(F)F)CCC2.
What is the InChIKey of 2-(3,3,3-trifluoropropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is CFAKQAMCHIIBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c13-12(14,15)4-5-17-11-9(7-16)6-8-2-1-3-10(8)18-11/h6H,1-5H2,(H,17,18).
What are the key properties of 2-(3,3,3-trifluoropropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(3,3,3-trifluoropropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 255.24 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 63226981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).