5-chloro-2-(2-hydroxypropylamino)benzonitrile

C10H11ClN2O — CID 62493477

IUPAC5-chloro-2-(2-hydroxypropylamino)benzonitrile
SMILESCC(O)CNc1ccc(Cl)cc1C#N
InChIInChI=1S/C10H11ClN2O/c1-7(14)6-13-10-3-2-9(11)4-8(10)5-12/h2-4,7,13-14H,6H2,1H3
InChIKeyFQGNPIJRPJSGCQ-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.00
Rot. Bonds3

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

5-chloro-2-(2-hydroxypropylamino)benzonitrile (PubChem CID 62493477) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 5-chloro-2-(2-hydroxypropylamino)benzonitrile.

Molecular Properties

Compound Name5-chloro-2-(2-hydroxypropylamino)benzonitrile
PubChem CID62493477
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name5-chloro-2-(2-hydroxypropylamino)benzonitrile
SMILESCC(O)CNc1ccc(Cl)cc1C#N
InChIInChI=1S/C10H11ClN2O/c1-7(14)6-13-10-3-2-9(11)4-8(10)5-12/h2-4,7,13-14H,6H2,1H3
InChIKeyFQGNPIJRPJSGCQ-UHFFFAOYSA-N
XLogP2.00
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-hydroxypropylamino)benzonitrile?
The IUPAC name of 5-chloro-2-(2-hydroxypropylamino)benzonitrile (CID 62493477) is 5-chloro-2-(2-hydroxypropylamino)benzonitrile.
What is the SMILES notation for 5-chloro-2-(2-hydroxypropylamino)benzonitrile?
The canonical SMILES for 5-chloro-2-(2-hydroxypropylamino)benzonitrile is CC(O)CNc1ccc(Cl)cc1C#N.
What is the InChIKey of 5-chloro-2-(2-hydroxypropylamino)benzonitrile?
The InChIKey is FQGNPIJRPJSGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-7(14)6-13-10-3-2-9(11)4-8(10)5-12/h2-4,7,13-14H,6H2,1H3.
What are the key properties of 5-chloro-2-(2-hydroxypropylamino)benzonitrile?
5-chloro-2-(2-hydroxypropylamino)benzonitrile has a molecular weight of 210.66 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-hydroxypropylamino)benzonitrile is sourced from PubChem (CID 62493477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).