(2,3-dichloro-4-cyanoimino-5,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide

C10H6Cl2N4 — CID 10610857

IUPAC(2,3-dichloro-4-cyanoimino-5,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
SMILESCC1=C(C)/C(=N\C#N)C(Cl)=C(Cl)/C1=N\C#N
InChIInChI=1S/C10H6Cl2N4/c1-5-6(2)10(16-4-14)8(12)7(11)9(5)15-3-13/h1-2H3/b15-9-,16-10+
InChIKeyHJQKSHKRABJLTO-CKOAPEAFSA-N
MW253.09 g/mol
LogP2.87
Rot. Bonds

About (2,3-dichloro-4-cyanoimino-5,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide

(2,3-dichloro-4-cyanoimino-5,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide (PubChem CID 10610857) has the molecular formula C10H6Cl2N4 and a molecular weight of 253.09 g/mol. Its IUPAC name is (2,3-dichloro-4-cyanoimino-5,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide.

Molecular Properties

Compound Name(2,3-dichloro-4-cyanoimino-5,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
PubChem CID10610857
Molecular FormulaC10H6Cl2N4
Molecular Weight253.09 g/mol
Exact Mass252.00
IUPAC Name(2,3-dichloro-4-cyanoimino-5,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
SMILESCC1=C(C)/C(=N\C#N)C(Cl)=C(Cl)/C1=N\C#N
InChIInChI=1S/C10H6Cl2N4/c1-5-6(2)10(16-4-14)8(12)7(11)9(5)15-3-13/h1-2H3/b15-9-,16-10+
InChIKeyHJQKSHKRABJLTO-CKOAPEAFSA-N
XLogP2.87
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2-Chloro-4-cyanoimino-3-ethyl-5-fluoro-6-methylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 134925690
(2,6-Dichloro-4-cyanoimino-3-fluoro-5-methylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 134937744
(5-Chloro-4-cyanoimino-2-fluoro-3-methylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 134937995
(2-Chloro-4-cyanoimino-5-fluoro-3,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 134986557
(2-Chloro-4-cyanoimino-3,6-difluoro-5-methylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 89064574
(2,3-Dichloro-4-cyanoimino-5-fluoro-6-methylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 170103843
(2-Chloro-4-cyanoimino-5,6-diethyl-3-methylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 134937212
(2-Chloro-4-cyanoimino-3-ethyl-6-methylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 134937996
[(1E,4E)-2-Chloro-5-methyl-2,5-cyclohexadiene-1,4-diylidene]biscyanamide
CID 13542870
[2,5-Bis(chloromethyl)-4-cyanoiminocyclohexa-2,5-dien-1-ylidene]cyanamide
CID 10848459

Frequently Asked Questions

What is the IUPAC name of (2,3-dichloro-4-cyanoimino-5,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide?
The IUPAC name of (2,3-dichloro-4-cyanoimino-5,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide (CID 10610857) is (2,3-dichloro-4-cyanoimino-5,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide.
What is the SMILES notation for (2,3-dichloro-4-cyanoimino-5,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide?
The canonical SMILES for (2,3-dichloro-4-cyanoimino-5,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide is CC1=C(C)/C(=N\C#N)C(Cl)=C(Cl)/C1=N\C#N.
What is the InChIKey of (2,3-dichloro-4-cyanoimino-5,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide?
The InChIKey is HJQKSHKRABJLTO-CKOAPEAFSA-N. The full InChI is InChI=1S/C10H6Cl2N4/c1-5-6(2)10(16-4-14)8(12)7(11)9(5)15-3-13/h1-2H3/b15-9-,16-10+.
What are the key properties of (2,3-dichloro-4-cyanoimino-5,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide?
(2,3-dichloro-4-cyanoimino-5,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide has a molecular weight of 253.09 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichloro-4-cyanoimino-5,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide is sourced from PubChem (CID 10610857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).