3,5-dichloro-4-[(phenylhydrazinylidene)methyl]benzonitrile

C14H9Cl2N3 — CID 169383531

IUPAC3,5-dichloro-4-[(phenylhydrazinylidene)methyl]benzonitrile
SMILESN#Cc1cc(Cl)c(C=NNc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3/c15-13-6-10(8-17)7-14(16)12(13)9-18-19-11-4-2-1-3-5-11/h1-7,9,19H
InChIKeyGNXHIGGIKMZFIW-UHFFFAOYSA-N
MW290.15 g/mol
LogP4.31
Rot. Bonds3

About 3,5-dichloro-4-[(phenylhydrazinylidene)methyl]benzonitrile

3,5-dichloro-4-[(phenylhydrazinylidene)methyl]benzonitrile (PubChem CID 169383531) has the molecular formula C14H9Cl2N3 and a molecular weight of 290.15 g/mol. Its IUPAC name is 3,5-dichloro-4-[(phenylhydrazinylidene)methyl]benzonitrile.

Molecular Properties

Compound Name3,5-dichloro-4-[(phenylhydrazinylidene)methyl]benzonitrile
PubChem CID169383531
Molecular FormulaC14H9Cl2N3
Molecular Weight290.15 g/mol
Exact Mass289.02
IUPAC Name3,5-dichloro-4-[(phenylhydrazinylidene)methyl]benzonitrile
SMILESN#Cc1cc(Cl)c(C=NNc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3/c15-13-6-10(8-17)7-14(16)12(13)9-18-19-11-4-2-1-3-5-11/h1-7,9,19H
InChIKeyGNXHIGGIKMZFIW-UHFFFAOYSA-N
XLogP4.31
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2,6-dichloro-3,4-dimethoxyphenyl)methylideneamino]aniline
CID 169383624
2-amino-5-[(phenylhydrazinylidene)methyl]benzonitrile
CID 169384043
4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzonitrile
CID 139084695
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295
4-[2-[7-chloro-3-[(phenylhydrazinylidene)methyl]-1H-pyrrolo[3,2-c]quinolin-2-yl]ethylamino]benzonitrile
CID 152769784
N-[(2,4-dibromo-3,6-difluorophenyl)methylideneamino]aniline
CID 169383987
(3E)-3-(phenylhydrazinylidene)propanenitrile
CID 12847960
N-[(3-chloro-2-iodophenyl)methylideneamino]aniline
CID 169383776
4-nitro-5-[(E)-(phenylhydrazinylidene)methyl]benzene-1,2-dicarbonitrile
CID 51138518
2-(dimethylamino)-5-[(phenylhydrazinylidene)methyl]benzonitrile
CID 169383843
[2,6-dichloro-3-[(phenylhydrazinylidene)methyl]phenyl]boronic acid
CID 169383884
N-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline
CID 169381531

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(phenylhydrazinylidene)methyl]benzonitrile?
The IUPAC name of 3,5-dichloro-4-[(phenylhydrazinylidene)methyl]benzonitrile (CID 169383531) is 3,5-dichloro-4-[(phenylhydrazinylidene)methyl]benzonitrile.
What is the SMILES notation for 3,5-dichloro-4-[(phenylhydrazinylidene)methyl]benzonitrile?
The canonical SMILES for 3,5-dichloro-4-[(phenylhydrazinylidene)methyl]benzonitrile is N#Cc1cc(Cl)c(C=NNc2ccccc2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-[(phenylhydrazinylidene)methyl]benzonitrile?
The InChIKey is GNXHIGGIKMZFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3/c15-13-6-10(8-17)7-14(16)12(13)9-18-19-11-4-2-1-3-5-11/h1-7,9,19H.
What are the key properties of 3,5-dichloro-4-[(phenylhydrazinylidene)methyl]benzonitrile?
3,5-dichloro-4-[(phenylhydrazinylidene)methyl]benzonitrile has a molecular weight of 290.15 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(phenylhydrazinylidene)methyl]benzonitrile is sourced from PubChem (CID 169383531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).