2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile

C16H14FN3O — CID 129448984

IUPAC2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1C[C@H](O)C[C@H]1c1cccc(F)c1
InChIInChI=1S/C16H14FN3O/c17-13-5-1-3-11(7-13)15-8-14(21)10-20(15)16-12(9-18)4-2-6-19-16/h1-7,14-15,21H,8,10H2/t14-,15+/m1/s1
InChIKeyWSLQRZDWTJBJIZ-CABCVRRESA-N
MW283.31 g/mol
LogP2.40
Rot. Bonds2

About 2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile

2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 129448984) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID129448984
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1C[C@H](O)C[C@H]1c1cccc(F)c1
InChIInChI=1S/C16H14FN3O/c17-13-5-1-3-11(7-13)15-8-14(21)10-20(15)16-12(9-18)4-2-6-19-16/h1-7,14-15,21H,8,10H2/t14-,15+/m1/s1
InChIKeyWSLQRZDWTJBJIZ-CABCVRRESA-N
XLogP2.40
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile (CID 129448984) is 2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1C[C@H](O)C[C@H]1c1cccc(F)c1.
What is the InChIKey of 2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is WSLQRZDWTJBJIZ-CABCVRRESA-N. The full InChI is InChI=1S/C16H14FN3O/c17-13-5-1-3-11(7-13)15-8-14(21)10-20(15)16-12(9-18)4-2-6-19-16/h1-7,14-15,21H,8,10H2/t14-,15+/m1/s1.
What are the key properties of 2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile?
2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 283.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 129448984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).