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

C11H11F2N3 — CID 79099070

IUPAC2-(2,2-difluoroethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1NCC(F)F)CCC2
InChIInChI=1S/C11H11F2N3/c12-10(13)6-15-11-8(5-14)4-7-2-1-3-9(7)16-11/h4,10H,1-3,6H2,(H,15,16)
InChIKeyUDLMPPCRSLSMPH-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.12
Rot. Bonds3

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

2-(2,2-difluoroethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 79099070) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,2-difluoroethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID79099070
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name2-(2,2-difluoroethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1NCC(F)F)CCC2
InChIInChI=1S/C11H11F2N3/c12-10(13)6-15-11-8(5-14)4-7-2-1-3-9(7)16-11/h4,10H,1-3,6H2,(H,15,16)
InChIKeyUDLMPPCRSLSMPH-UHFFFAOYSA-N
XLogP2.12
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(2,2-difluoroethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 79099070) is 2-(2,2-difluoroethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,2-difluoroethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(2,2-difluoroethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1NCC(F)F)CCC2.
What is the InChIKey of 2-(2,2-difluoroethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is UDLMPPCRSLSMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c12-10(13)6-15-11-8(5-14)4-7-2-1-3-9(7)16-11/h4,10H,1-3,6H2,(H,15,16).
What are the key properties of 2-(2,2-difluoroethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(2,2-difluoroethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 223.23 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 79099070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).