(2R,4S)-4-phenyl-2-pyridin-3-ylpentanenitrile

C16H16N2 — CID 129364962

IUPAC(2R,4S)-4-phenyl-2-pyridin-3-ylpentanenitrile
SMILESC[C@@H](C[C@@H](C#N)c1cccnc1)c1ccccc1
InChIInChI=1S/C16H16N2/c1-13(14-6-3-2-4-7-14)10-16(11-17)15-8-5-9-18-12-15/h2-9,12-13,16H,10H2,1H3/t13-,16-/m0/s1
InChIKeySXLGHLQUTIGHQV-BBRMVZONSA-N
MW236.32 g/mol
LogP3.88
Rot. Bonds4

About (2R,4S)-4-phenyl-2-pyridin-3-ylpentanenitrile

(2R,4S)-4-phenyl-2-pyridin-3-ylpentanenitrile (PubChem CID 129364962) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is (2R,4S)-4-phenyl-2-pyridin-3-ylpentanenitrile.

Molecular Properties

Compound Name(2R,4S)-4-phenyl-2-pyridin-3-ylpentanenitrile
PubChem CID129364962
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name(2R,4S)-4-phenyl-2-pyridin-3-ylpentanenitrile
SMILESC[C@@H](C[C@@H](C#N)c1cccnc1)c1ccccc1
InChIInChI=1S/C16H16N2/c1-13(14-6-3-2-4-7-14)10-16(11-17)15-8-5-9-18-12-15/h2-9,12-13,16H,10H2,1H3/t13-,16-/m0/s1
InChIKeySXLGHLQUTIGHQV-BBRMVZONSA-N
XLogP3.88
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-phenyl-2-pyridin-3-ylpentanenitrile?
The IUPAC name of (2R,4S)-4-phenyl-2-pyridin-3-ylpentanenitrile (CID 129364962) is (2R,4S)-4-phenyl-2-pyridin-3-ylpentanenitrile.
What is the SMILES notation for (2R,4S)-4-phenyl-2-pyridin-3-ylpentanenitrile?
The canonical SMILES for (2R,4S)-4-phenyl-2-pyridin-3-ylpentanenitrile is C[C@@H](C[C@@H](C#N)c1cccnc1)c1ccccc1.
What is the InChIKey of (2R,4S)-4-phenyl-2-pyridin-3-ylpentanenitrile?
The InChIKey is SXLGHLQUTIGHQV-BBRMVZONSA-N. The full InChI is InChI=1S/C16H16N2/c1-13(14-6-3-2-4-7-14)10-16(11-17)15-8-5-9-18-12-15/h2-9,12-13,16H,10H2,1H3/t13-,16-/m0/s1.
What are the key properties of (2R,4S)-4-phenyl-2-pyridin-3-ylpentanenitrile?
(2R,4S)-4-phenyl-2-pyridin-3-ylpentanenitrile has a molecular weight of 236.32 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-phenyl-2-pyridin-3-ylpentanenitrile is sourced from PubChem (CID 129364962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).