2-chlorobenzaldehyde;(2R)-2-(2-chlorophenyl)-2-hydroxyacetonitrile

C15H11Cl2NO2 — CID 160870687

IUPAC2-chlorobenzaldehyde;(2R)-2-(2-chlorophenyl)-2-hydroxyacetonitrile
SMILESN#C[C@H](O)c1ccccc1Cl.O=Cc1ccccc1Cl
InChIInChI=1S/C8H6ClNO.C7H5ClO/c9-7-4-2-1-3-6(7)8(11)5-10;8-7-4-2-1-3-6(7)5-9/h1-4,8,11H;1-5H/t8-;/m0./s1
InChIKeySLSGRIKXGDCLTB-QRPNPIFTSA-N
MW308.16 g/mol
LogP4.05
Rot. Bonds2

About 2-chlorobenzaldehyde;(2R)-2-(2-chlorophenyl)-2-hydroxyacetonitrile

2-chlorobenzaldehyde;(2R)-2-(2-chlorophenyl)-2-hydroxyacetonitrile (PubChem CID 160870687) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is 2-chlorobenzaldehyde;(2R)-2-(2-chlorophenyl)-2-hydroxyacetonitrile.

Molecular Properties

Compound Name2-chlorobenzaldehyde;(2R)-2-(2-chlorophenyl)-2-hydroxyacetonitrile
PubChem CID160870687
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC Name2-chlorobenzaldehyde;(2R)-2-(2-chlorophenyl)-2-hydroxyacetonitrile
SMILESN#C[C@H](O)c1ccccc1Cl.O=Cc1ccccc1Cl
InChIInChI=1S/C8H6ClNO.C7H5ClO/c9-7-4-2-1-3-6(7)8(11)5-10;8-7-4-2-1-3-6(7)5-9/h1-4,8,11H;1-5H/t8-;/m0./s1
InChIKeySLSGRIKXGDCLTB-QRPNPIFTSA-N
XLogP4.05
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Related Compounds

2-chlorobenzaldehyde;(2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile
CID 158704674
2-hydroxy-2-(2-hydroxyphenyl)acetonitrile
CID 14293611
2-chlorobenzaldehyde;2-nitrobenzonitrile
CID 87358266
2-aminopropanoic acid;2-chlorobenzaldehyde;copper
CID 175322684
3-(2-bromo-3-formylphenyl)-2,3-dihydroxypropanenitrile
CID 171871457
2-(2-chlorophenyl)-3-[di(propan-2-yl)amino]butanenitrile
CID 67903059
3-(2-chloro-6-formylphenyl)prop-2-enenitrile
CID 169483362
2,3-dichlorobenzaldehyde;methanol
CID 162040206
(Z)-3-(2-chlorophenyl)prop-2-enenitrile
CID 11205957
2-(2-formylphenyl)-2-hydroxyacetamide
CID 54502369
(Z)-3-(2-chlorophenyl)-2-methylprop-2-enenitrile
CID 101360500
2-(1-hydroxypropyl)benzaldehyde
CID 22057055

Frequently Asked Questions

What is the IUPAC name of 2-chlorobenzaldehyde;(2R)-2-(2-chlorophenyl)-2-hydroxyacetonitrile?
The IUPAC name of 2-chlorobenzaldehyde;(2R)-2-(2-chlorophenyl)-2-hydroxyacetonitrile (CID 160870687) is 2-chlorobenzaldehyde;(2R)-2-(2-chlorophenyl)-2-hydroxyacetonitrile.
What is the SMILES notation for 2-chlorobenzaldehyde;(2R)-2-(2-chlorophenyl)-2-hydroxyacetonitrile?
The canonical SMILES for 2-chlorobenzaldehyde;(2R)-2-(2-chlorophenyl)-2-hydroxyacetonitrile is N#C[C@H](O)c1ccccc1Cl.O=Cc1ccccc1Cl.
What is the InChIKey of 2-chlorobenzaldehyde;(2R)-2-(2-chlorophenyl)-2-hydroxyacetonitrile?
The InChIKey is SLSGRIKXGDCLTB-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H6ClNO.C7H5ClO/c9-7-4-2-1-3-6(7)8(11)5-10;8-7-4-2-1-3-6(7)5-9/h1-4,8,11H;1-5H/t8-;/m0./s1.
What are the key properties of 2-chlorobenzaldehyde;(2R)-2-(2-chlorophenyl)-2-hydroxyacetonitrile?
2-chlorobenzaldehyde;(2R)-2-(2-chlorophenyl)-2-hydroxyacetonitrile has a molecular weight of 308.16 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobenzaldehyde;(2R)-2-(2-chlorophenyl)-2-hydroxyacetonitrile is sourced from PubChem (CID 160870687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).