2-amino-4-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C15H12FN3 — CID 684194

IUPAC2-amino-4-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccc(F)cc1)CCC2
InChIInChI=1S/C15H12FN3/c16-10-6-4-9(5-7-10)14-11-2-1-3-13(11)19-15(18)12(14)8-17/h4-7H,1-3H2,(H2,18,19)
InChIKeyODNMTXWVAZKNSM-UHFFFAOYSA-N
MW253.28 g/mol
LogP2.83
Rot. Bonds1

About 2-amino-4-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-amino-4-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 684194) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID684194
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name2-amino-4-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccc(F)cc1)CCC2
InChIInChI=1S/C15H12FN3/c16-10-6-4-9(5-7-10)14-11-2-1-3-13(11)19-15(18)12(14)8-17/h4-7H,1-3H2,(H2,18,19)
InChIKeyODNMTXWVAZKNSM-UHFFFAOYSA-N
XLogP2.83
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile
CID 10176749
ST001233
CID 610514
2-Amino-4,6-diphenylpyridine-3-carbonitrile
CID 668105
2-Amino-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile
CID 695136
2-Amino-4,6-dimethyl-3-pyridinecarbonitrile
CID 230471
6-Phenylpyridin-2-amine
CID 598430
2-(4-Fluoro-phenylamino)-4,6-dimethyl-nicotinonitrile
CID 706821
2-Amino-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile
CID 917384
2-Amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 754150
6-(2-Phenylethyl)pyridin-2-amine
CID 13070818
2-Amino-5,6-dimethyl-4-phenylnicotinonitrile
CID 650363
2-Amino-6-cyclopropyl-4-(4-fluorophenyl)nicotinonitrile
CID 686655

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 684194) is 2-amino-4-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1c(N)nc2c(c1-c1ccc(F)cc1)CCC2.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is ODNMTXWVAZKNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c16-10-6-4-9(5-7-10)14-11-2-1-3-13(11)19-15(18)12(14)8-17/h4-7H,1-3H2,(H2,18,19).
What are the key properties of 2-amino-4-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-amino-4-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 253.28 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 684194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).