5-fluoro-6-[[1-(2-fluorophenyl)cyclopropyl]amino]pyridine-3-carbonitrile

C15H11F2N3 — CID 175751562

IUPAC5-fluoro-6-[[1-(2-fluorophenyl)cyclopropyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NC2(c3ccccc3F)CC2)c(F)c1
InChIInChI=1S/C15H11F2N3/c16-12-4-2-1-3-11(12)15(5-6-15)20-14-13(17)7-10(8-18)9-19-14/h1-4,7,9H,5-6H2,(H,19,20)
InChIKeyCRNHRSVHVLAMMV-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.33
Rot. Bonds3

About 5-fluoro-6-[[1-(2-fluorophenyl)cyclopropyl]amino]pyridine-3-carbonitrile

5-fluoro-6-[[1-(2-fluorophenyl)cyclopropyl]amino]pyridine-3-carbonitrile (PubChem CID 175751562) has the molecular formula C15H11F2N3 and a molecular weight of 271.27 g/mol. Its IUPAC name is 5-fluoro-6-[[1-(2-fluorophenyl)cyclopropyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-6-[[1-(2-fluorophenyl)cyclopropyl]amino]pyridine-3-carbonitrile
PubChem CID175751562
Molecular FormulaC15H11F2N3
Molecular Weight271.27 g/mol
Exact Mass271.09
IUPAC Name5-fluoro-6-[[1-(2-fluorophenyl)cyclopropyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NC2(c3ccccc3F)CC2)c(F)c1
InChIInChI=1S/C15H11F2N3/c16-12-4-2-1-3-11(12)15(5-6-15)20-14-13(17)7-10(8-18)9-19-14/h1-4,7,9H,5-6H2,(H,19,20)
InChIKeyCRNHRSVHVLAMMV-UHFFFAOYSA-N
XLogP3.33
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[[1-(2-fluorophenyl)cyclopropyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 5-fluoro-6-[[1-(2-fluorophenyl)cyclopropyl]amino]pyridine-3-carbonitrile (CID 175751562) is 5-fluoro-6-[[1-(2-fluorophenyl)cyclopropyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-fluoro-6-[[1-(2-fluorophenyl)cyclopropyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-fluoro-6-[[1-(2-fluorophenyl)cyclopropyl]amino]pyridine-3-carbonitrile is N#Cc1cnc(NC2(c3ccccc3F)CC2)c(F)c1.
What is the InChIKey of 5-fluoro-6-[[1-(2-fluorophenyl)cyclopropyl]amino]pyridine-3-carbonitrile?
The InChIKey is CRNHRSVHVLAMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3/c16-12-4-2-1-3-11(12)15(5-6-15)20-14-13(17)7-10(8-18)9-19-14/h1-4,7,9H,5-6H2,(H,19,20).
What are the key properties of 5-fluoro-6-[[1-(2-fluorophenyl)cyclopropyl]amino]pyridine-3-carbonitrile?
5-fluoro-6-[[1-(2-fluorophenyl)cyclopropyl]amino]pyridine-3-carbonitrile has a molecular weight of 271.27 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[[1-(2-fluorophenyl)cyclopropyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 175751562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).