2-[[2-(2,4-dichloro-3-methylphenyl)hydrazinyl]methylidene]propanedinitrile

C11H8Cl2N4 — CID 12953038

IUPAC2-[[2-(2,4-dichloro-3-methylphenyl)hydrazinyl]methylidene]propanedinitrile
SMILESCc1c(Cl)ccc(NNC=C(C#N)C#N)c1Cl
InChIInChI=1S/C11H8Cl2N4/c1-7-9(12)2-3-10(11(7)13)17-16-6-8(4-14)5-15/h2-3,6,16-17H,1H3
InChIKeyFGORKAPGOHHLER-UHFFFAOYSA-N
MW267.12 g/mol
LogP3.15
Rot. Bonds3

About 2-[[2-(2,4-dichloro-3-methylphenyl)hydrazinyl]methylidene]propanedinitrile

2-[[2-(2,4-dichloro-3-methylphenyl)hydrazinyl]methylidene]propanedinitrile (PubChem CID 12953038) has the molecular formula C11H8Cl2N4 and a molecular weight of 267.12 g/mol. Its IUPAC name is 2-[[2-(2,4-dichloro-3-methylphenyl)hydrazinyl]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-(2,4-dichloro-3-methylphenyl)hydrazinyl]methylidene]propanedinitrile
PubChem CID12953038
Molecular FormulaC11H8Cl2N4
Molecular Weight267.12 g/mol
Exact Mass266.01
IUPAC Name2-[[2-(2,4-dichloro-3-methylphenyl)hydrazinyl]methylidene]propanedinitrile
SMILESCc1c(Cl)ccc(NNC=C(C#N)C#N)c1Cl
InChIInChI=1S/C11H8Cl2N4/c1-7-9(12)2-3-10(11(7)13)17-16-6-8(4-14)5-15/h2-3,6,16-17H,1H3
InChIKeyFGORKAPGOHHLER-UHFFFAOYSA-N
XLogP3.15
TPSA71.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2,3-dichloro-4-ethylphenyl)hydrazinyl]methylidene]propanedinitrile
CID 13127504
ethyl 2-cyano-3-[2-(2,3,4-trichlorophenyl)hydrazinyl]prop-2-enoate
CID 70486646
2-[(4-cyano-2-fluoro-3-methylanilino)methylidene]propanedinitrile
CID 168541927
2,6-dichloro-3-(2,2-dicyanoethenylamino)benzoic acid
CID 168541614
2-[(2-chloro-4,5-dimethylanilino)methylidene]propanedinitrile
CID 168541587
2-[(2-chloro-5-fluoroanilino)methylidene]propanedinitrile
CID 168511631
2-[(4-fluoro-2-hydroxy-3-methylanilino)methylidene]propanedinitrile
CID 168543795
2-[(5-chloro-2-hydroxy-4-methylanilino)methylidene]propanedinitrile
CID 168544989
ethyl (E)-2-cyano-3-[2-(2,4-dichlorophenyl)hydrazinyl]prop-2-enoate
CID 8812159
2-[(4-methylsulfonylanilino)methylidene]propanedinitrile
CID 168511617
2-[(4-bromo-2-methylanilino)methylidene]propanedinitrile
CID 47121487
2-[(3-chloro-2-fluoroanilino)methylidene]propanedinitrile
CID 168511616

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dichloro-3-methylphenyl)hydrazinyl]methylidene]propanedinitrile?
The IUPAC name of 2-[[2-(2,4-dichloro-3-methylphenyl)hydrazinyl]methylidene]propanedinitrile (CID 12953038) is 2-[[2-(2,4-dichloro-3-methylphenyl)hydrazinyl]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-(2,4-dichloro-3-methylphenyl)hydrazinyl]methylidene]propanedinitrile?
The canonical SMILES for 2-[[2-(2,4-dichloro-3-methylphenyl)hydrazinyl]methylidene]propanedinitrile is Cc1c(Cl)ccc(NNC=C(C#N)C#N)c1Cl.
What is the InChIKey of 2-[[2-(2,4-dichloro-3-methylphenyl)hydrazinyl]methylidene]propanedinitrile?
The InChIKey is FGORKAPGOHHLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4/c1-7-9(12)2-3-10(11(7)13)17-16-6-8(4-14)5-15/h2-3,6,16-17H,1H3.
What are the key properties of 2-[[2-(2,4-dichloro-3-methylphenyl)hydrazinyl]methylidene]propanedinitrile?
2-[[2-(2,4-dichloro-3-methylphenyl)hydrazinyl]methylidene]propanedinitrile has a molecular weight of 267.12 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dichloro-3-methylphenyl)hydrazinyl]methylidene]propanedinitrile is sourced from PubChem (CID 12953038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).