5-chloro-2-(cyclopropylamino)benzonitrile

C10H9ClN2 — CID 62494157

IUPAC5-chloro-2-(cyclopropylamino)benzonitrile
SMILESN#Cc1cc(Cl)ccc1NC1CC1
InChIInChI=1S/C10H9ClN2/c11-8-1-4-10(7(5-8)6-12)13-9-2-3-9/h1,4-5,9,13H,2-3H2
InChIKeyYZCKHEKWHGFVCB-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.79
Rot. Bonds2

About 5-chloro-2-(cyclopropylamino)benzonitrile

5-chloro-2-(cyclopropylamino)benzonitrile (PubChem CID 62494157) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 5-chloro-2-(cyclopropylamino)benzonitrile.

Molecular Properties

Compound Name5-chloro-2-(cyclopropylamino)benzonitrile
PubChem CID62494157
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name5-chloro-2-(cyclopropylamino)benzonitrile
SMILESN#Cc1cc(Cl)ccc1NC1CC1
InChIInChI=1S/C10H9ClN2/c11-8-1-4-10(7(5-8)6-12)13-9-2-3-9/h1,4-5,9,13H,2-3H2
InChIKeyYZCKHEKWHGFVCB-UHFFFAOYSA-N
XLogP2.79
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclopropylamino)benzonitrile?
The IUPAC name of 5-chloro-2-(cyclopropylamino)benzonitrile (CID 62494157) is 5-chloro-2-(cyclopropylamino)benzonitrile.
What is the SMILES notation for 5-chloro-2-(cyclopropylamino)benzonitrile?
The canonical SMILES for 5-chloro-2-(cyclopropylamino)benzonitrile is N#Cc1cc(Cl)ccc1NC1CC1.
What is the InChIKey of 5-chloro-2-(cyclopropylamino)benzonitrile?
The InChIKey is YZCKHEKWHGFVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c11-8-1-4-10(7(5-8)6-12)13-9-2-3-9/h1,4-5,9,13H,2-3H2.
What are the key properties of 5-chloro-2-(cyclopropylamino)benzonitrile?
5-chloro-2-(cyclopropylamino)benzonitrile has a molecular weight of 192.65 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclopropylamino)benzonitrile is sourced from PubChem (CID 62494157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).