6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile

C17H17FN4O — CID 133421655

IUPAC6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCC2CC(O)c2ccc(F)cc2)nn1
InChIInChI=1S/C17H17FN4O/c18-13-5-3-12(4-6-13)16(23)10-15-2-1-9-22(15)17-8-7-14(11-19)20-21-17/h3-8,15-16,23H,1-2,9-10H2
InChIKeyGIPOEJPQFNHUIX-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.58
Rot. Bonds4

About 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile

6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile (PubChem CID 133421655) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
PubChem CID133421655
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCC2CC(O)c2ccc(F)cc2)nn1
InChIInChI=1S/C17H17FN4O/c18-13-5-3-12(4-6-13)16(23)10-15-2-1-9-22(15)17-8-7-14(11-19)20-21-17/h3-8,15-16,23H,1-2,9-10H2
InChIKeyGIPOEJPQFNHUIX-UHFFFAOYSA-N
XLogP2.58
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile (CID 133421655) is 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile is N#Cc1ccc(N2CCCC2CC(O)c2ccc(F)cc2)nn1.
What is the InChIKey of 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile?
The InChIKey is GIPOEJPQFNHUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c18-13-5-3-12(4-6-13)16(23)10-15-2-1-9-22(15)17-8-7-14(11-19)20-21-17/h3-8,15-16,23H,1-2,9-10H2.
What are the key properties of 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile?
6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile has a molecular weight of 312.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 133421655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).