(2R)-4-cyclopentyl-2-(5-fluoro-2-pyridinyl)-3-oxobutanenitrile

C14H15FN2O — CID 96565445

IUPAC(2R)-4-cyclopentyl-2-(5-fluoro-2-pyridinyl)-3-oxobutanenitrile
SMILESN#C[C@H](C(=O)CC1CCCC1)c1ccc(F)cn1
InChIInChI=1S/C14H15FN2O/c15-11-5-6-13(17-9-11)12(8-16)14(18)7-10-3-1-2-4-10/h5-6,9-10,12H,1-4,7H2/t12-/m0/s1
InChIKeyVTWFMJWXNKULEW-LBPRGKRZSA-N
MW246.28 g/mol
LogP2.98
Rot. Bonds4

About (2R)-4-cyclopentyl-2-(5-fluoro-2-pyridinyl)-3-oxobutanenitrile

(2R)-4-cyclopentyl-2-(5-fluoro-2-pyridinyl)-3-oxobutanenitrile (PubChem CID 96565445) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is (2R)-4-cyclopentyl-2-(5-fluoro-2-pyridinyl)-3-oxobutanenitrile.

Molecular Properties

Compound Name(2R)-4-cyclopentyl-2-(5-fluoro-2-pyridinyl)-3-oxobutanenitrile
PubChem CID96565445
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name(2R)-4-cyclopentyl-2-(5-fluoro-2-pyridinyl)-3-oxobutanenitrile
SMILESN#C[C@H](C(=O)CC1CCCC1)c1ccc(F)cn1
InChIInChI=1S/C14H15FN2O/c15-11-5-6-13(17-9-11)12(8-16)14(18)7-10-3-1-2-4-10/h5-6,9-10,12H,1-4,7H2/t12-/m0/s1
InChIKeyVTWFMJWXNKULEW-LBPRGKRZSA-N
XLogP2.98
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-cyclopentyl-2-(5-fluoro-2-pyridinyl)-3-oxobutanenitrile?
The IUPAC name of (2R)-4-cyclopentyl-2-(5-fluoro-2-pyridinyl)-3-oxobutanenitrile (CID 96565445) is (2R)-4-cyclopentyl-2-(5-fluoro-2-pyridinyl)-3-oxobutanenitrile.
What is the SMILES notation for (2R)-4-cyclopentyl-2-(5-fluoro-2-pyridinyl)-3-oxobutanenitrile?
The canonical SMILES for (2R)-4-cyclopentyl-2-(5-fluoro-2-pyridinyl)-3-oxobutanenitrile is N#C[C@H](C(=O)CC1CCCC1)c1ccc(F)cn1.
What is the InChIKey of (2R)-4-cyclopentyl-2-(5-fluoro-2-pyridinyl)-3-oxobutanenitrile?
The InChIKey is VTWFMJWXNKULEW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-11-5-6-13(17-9-11)12(8-16)14(18)7-10-3-1-2-4-10/h5-6,9-10,12H,1-4,7H2/t12-/m0/s1.
What are the key properties of (2R)-4-cyclopentyl-2-(5-fluoro-2-pyridinyl)-3-oxobutanenitrile?
(2R)-4-cyclopentyl-2-(5-fluoro-2-pyridinyl)-3-oxobutanenitrile has a molecular weight of 246.28 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-cyclopentyl-2-(5-fluoro-2-pyridinyl)-3-oxobutanenitrile is sourced from PubChem (CID 96565445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).