2-chloro-6-(furan-2-ylmethylamino)benzonitrile

C12H9ClN2O — CID 60678752

IUPAC2-chloro-6-(furan-2-ylmethylamino)benzonitrile
SMILESN#Cc1c(Cl)cccc1NCc1ccco1
InChIInChI=1S/C12H9ClN2O/c13-11-4-1-5-12(10(11)7-14)15-8-9-3-2-6-16-9/h1-6,15H,8H2
InChIKeyVMNPHPHMJQVIBQ-UHFFFAOYSA-N
MW232.67 g/mol
LogP3.42
Rot. Bonds3

About 2-chloro-6-(furan-2-ylmethylamino)benzonitrile

2-chloro-6-(furan-2-ylmethylamino)benzonitrile (PubChem CID 60678752) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-chloro-6-(furan-2-ylmethylamino)benzonitrile.

Molecular Properties

Compound Name2-chloro-6-(furan-2-ylmethylamino)benzonitrile
PubChem CID60678752
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name2-chloro-6-(furan-2-ylmethylamino)benzonitrile
SMILESN#Cc1c(Cl)cccc1NCc1ccco1
InChIInChI=1S/C12H9ClN2O/c13-11-4-1-5-12(10(11)7-14)15-8-9-3-2-6-16-9/h1-6,15H,8H2
InChIKeyVMNPHPHMJQVIBQ-UHFFFAOYSA-N
XLogP3.42
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminophenyl)methylamino]-6-chlorobenzonitrile
CID 55079654
2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzonitrile
CID 55209154
2-chloro-6-(2-cyanoethylamino)benzonitrile
CID 131065808
5-[(3-chloro-2-cyanoanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 62503103
2-chloro-6-(pyridin-2-ylmethylamino)benzonitrile
CID 17393162
2-[(3-aminophenyl)methylamino]-6-chlorobenzonitrile
CID 62500403
2,5-dichloro-N-(furan-2-ylmethyl)aniline
CID 18778634
2-chloro-6-hydrazinylbenzonitrile;hydrochloride
CID 53416800
2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580270
2-chloro-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 62500593
2-chloro-6-[(3-chloro-4-fluorophenyl)methylamino]benzonitrile
CID 62539428
2-(3-chloro-2-cyanophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 114322470

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(furan-2-ylmethylamino)benzonitrile?
The IUPAC name of 2-chloro-6-(furan-2-ylmethylamino)benzonitrile (CID 60678752) is 2-chloro-6-(furan-2-ylmethylamino)benzonitrile.
What is the SMILES notation for 2-chloro-6-(furan-2-ylmethylamino)benzonitrile?
The canonical SMILES for 2-chloro-6-(furan-2-ylmethylamino)benzonitrile is N#Cc1c(Cl)cccc1NCc1ccco1.
What is the InChIKey of 2-chloro-6-(furan-2-ylmethylamino)benzonitrile?
The InChIKey is VMNPHPHMJQVIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-11-4-1-5-12(10(11)7-14)15-8-9-3-2-6-16-9/h1-6,15H,8H2.
What are the key properties of 2-chloro-6-(furan-2-ylmethylamino)benzonitrile?
2-chloro-6-(furan-2-ylmethylamino)benzonitrile has a molecular weight of 232.67 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(furan-2-ylmethylamino)benzonitrile is sourced from PubChem (CID 60678752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).