(2R)-2-(3-chlorophenyl)butanenitrile

C10H10ClN — CID 175457455

IUPAC(2R)-2-(3-chlorophenyl)butanenitrile
SMILESCC[C@@H](C#N)c1cccc(Cl)c1
InChIInChI=1S/C10H10ClN/c1-2-8(7-12)9-4-3-5-10(11)6-9/h3-6,8H,2H2,1H3/t8-/m0/s1
InChIKeyYOBGVHRGAPSWLG-QMMMGPOBSA-N
MW179.65 g/mol
LogP3.36
Rot. Bonds2

About (2R)-2-(3-chlorophenyl)butanenitrile

(2R)-2-(3-chlorophenyl)butanenitrile (PubChem CID 175457455) has the molecular formula C10H10ClN and a molecular weight of 179.65 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenyl)butanenitrile.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenyl)butanenitrile
PubChem CID175457455
Molecular FormulaC10H10ClN
Molecular Weight179.65 g/mol
Exact Mass179.05
IUPAC Name(2R)-2-(3-chlorophenyl)butanenitrile
SMILESCC[C@@H](C#N)c1cccc(Cl)c1
InChIInChI=1S/C10H10ClN/c1-2-8(7-12)9-4-3-5-10(11)6-9/h3-6,8H,2H2,1H3/t8-/m0/s1
InChIKeyYOBGVHRGAPSWLG-QMMMGPOBSA-N
XLogP3.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-3-trimethylsilylpropanenitrile
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(2R)-2-(3-chlorophenyl)-4,4,4-trifluorobutanenitrile
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2-(3-tert-butylphenyl)butanenitrile
CID 139769184
2-(3-chlorophenyl)pent-4-enenitrile
CID 14326072
3-(3-chlorophenyl)pentanenitrile
CID 83685399
ethane;2-phenylbutanenitrile
CID 91343198
2-(3-chlorophenyl)-3-methylhexanenitrile
CID 107886154
2-(3-chlorophenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile
CID 82141531
2-(3-chlorophenyl)-3-pyridin-4-ylpropanenitrile
CID 82085002
(2S)-2-(3-chlorophenyl)-2-(methylamino)acetonitrile
CID 28699729
[(1R)-1-(3-chlorophenyl)ethyl]cyanamide
CID 81372417
N-butyl-3-(3-chlorophenyl)-3-cyanopropanamide
CID 112511723

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenyl)butanenitrile?
The IUPAC name of (2R)-2-(3-chlorophenyl)butanenitrile (CID 175457455) is (2R)-2-(3-chlorophenyl)butanenitrile.
What is the SMILES notation for (2R)-2-(3-chlorophenyl)butanenitrile?
The canonical SMILES for (2R)-2-(3-chlorophenyl)butanenitrile is CC[C@@H](C#N)c1cccc(Cl)c1.
What is the InChIKey of (2R)-2-(3-chlorophenyl)butanenitrile?
The InChIKey is YOBGVHRGAPSWLG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10ClN/c1-2-8(7-12)9-4-3-5-10(11)6-9/h3-6,8H,2H2,1H3/t8-/m0/s1.
What are the key properties of (2R)-2-(3-chlorophenyl)butanenitrile?
(2R)-2-(3-chlorophenyl)butanenitrile has a molecular weight of 179.65 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenyl)butanenitrile is sourced from PubChem (CID 175457455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).