2-chloro-5-(2-hydroxyacetyl)benzonitrile

C9H6ClNO2 — CID 18783104

IUPAC2-chloro-5-(2-hydroxyacetyl)benzonitrile
SMILESN#Cc1cc(C(=O)CO)ccc1Cl
InChIInChI=1S/C9H6ClNO2/c10-8-2-1-6(9(13)5-12)3-7(8)4-11/h1-3,12H,5H2
InChIKeyYDXPERSPOQLZMU-UHFFFAOYSA-N
MW195.60 g/mol
LogP1.39
Rot. Bonds2

About 2-chloro-5-(2-hydroxyacetyl)benzonitrile

2-chloro-5-(2-hydroxyacetyl)benzonitrile (PubChem CID 18783104) has the molecular formula C9H6ClNO2 and a molecular weight of 195.60 g/mol. Its IUPAC name is 2-chloro-5-(2-hydroxyacetyl)benzonitrile.

Molecular Properties

Compound Name2-chloro-5-(2-hydroxyacetyl)benzonitrile
PubChem CID18783104
Molecular FormulaC9H6ClNO2
Molecular Weight195.60 g/mol
Exact Mass195.01
IUPAC Name2-chloro-5-(2-hydroxyacetyl)benzonitrile
SMILESN#Cc1cc(C(=O)CO)ccc1Cl
InChIInChI=1S/C9H6ClNO2/c10-8-2-1-6(9(13)5-12)3-7(8)4-11/h1-3,12H,5H2
InChIKeyYDXPERSPOQLZMU-UHFFFAOYSA-N
XLogP1.39
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.60
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dichlorophenyl)-3-oxopropanenitrile
CID 2758063
4-(4-chloro-3-cyanophenyl)benzoic acid
CID 53218381
3,4-dichloro-N,N-bis(cyanomethyl)benzamide
CID 5018129
2-chloro-5-[3-(4-fluorophenyl)-2-oxopropyl]benzonitrile
CID 165098058
4-chloro-3-(3-hydroxyprop-1-ynyl)benzoic acid
CID 143783959
2-(4-chloro-3-cyanoanilino)propanoic acid
CID 66173106
2-chloro-5-sulfanylbenzonitrile
CID 91874006
N-(4-chloro-3-cyanophenyl)-2-methyl-3-(methylamino)propanamide
CID 79196264
5-(2-aminoacetyl)-2-hydroxybenzonitrile
CID 84767083
N-butyl-4-chloro-3-cyano-N-phenylbenzamide
CID 75444154
2-[(4-chloro-3-cyanophenyl)sulfamoyl]acetic acid
CID 43361980
2-amino-N-(4-chloro-3-cyanophenyl)propanamide
CID 43703829

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-hydroxyacetyl)benzonitrile?
The IUPAC name of 2-chloro-5-(2-hydroxyacetyl)benzonitrile (CID 18783104) is 2-chloro-5-(2-hydroxyacetyl)benzonitrile.
What is the SMILES notation for 2-chloro-5-(2-hydroxyacetyl)benzonitrile?
The canonical SMILES for 2-chloro-5-(2-hydroxyacetyl)benzonitrile is N#Cc1cc(C(=O)CO)ccc1Cl.
What is the InChIKey of 2-chloro-5-(2-hydroxyacetyl)benzonitrile?
The InChIKey is YDXPERSPOQLZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2/c10-8-2-1-6(9(13)5-12)3-7(8)4-11/h1-3,12H,5H2.
What are the key properties of 2-chloro-5-(2-hydroxyacetyl)benzonitrile?
2-chloro-5-(2-hydroxyacetyl)benzonitrile has a molecular weight of 195.60 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-hydroxyacetyl)benzonitrile is sourced from PubChem (CID 18783104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).