2-(4-chloro-2-cyanophenyl)-1-(diaminomethylidene)guanidine

C9H9ClN6 — CID 2730570

IUPAC2-(4-chloro-2-cyanophenyl)-1-(diaminomethylidene)guanidine
SMILESN#Cc1cc(Cl)ccc1/N=C(\N)N=C(N)N
InChIInChI=1S/C9H9ClN6/c10-6-1-2-7(5(3-6)4-11)15-9(14)16-8(12)13/h1-3H,(H6,12,13,14,15,16)
InChIKeyOXQILUPNLGVNIF-UHFFFAOYSA-N
MW236.67 g/mol
LogP0.43
Rot. Bonds1

About 2-(4-chloro-2-cyanophenyl)-1-(diaminomethylidene)guanidine

2-(4-chloro-2-cyanophenyl)-1-(diaminomethylidene)guanidine (PubChem CID 2730570) has the molecular formula C9H9ClN6 and a molecular weight of 236.67 g/mol. Its IUPAC name is 2-(4-chloro-2-cyanophenyl)-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-(4-chloro-2-cyanophenyl)-1-(diaminomethylidene)guanidine
PubChem CID2730570
Molecular FormulaC9H9ClN6
Molecular Weight236.67 g/mol
Exact Mass236.06
IUPAC Name2-(4-chloro-2-cyanophenyl)-1-(diaminomethylidene)guanidine
SMILESN#Cc1cc(Cl)ccc1/N=C(\N)N=C(N)N
InChIInChI=1S/C9H9ClN6/c10-6-1-2-7(5(3-6)4-11)15-9(14)16-8(12)13/h1-3H,(H6,12,13,14,15,16)
InChIKeyOXQILUPNLGVNIF-UHFFFAOYSA-N
XLogP0.43
TPSA126.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.67
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Chlordimeform
CID 22544
Chlordimeform hydrochloride
CID 12336279
2-Amino-5-chlorobenzonitrile
CID 80019
N-(5-chloro-2-methylphenyl)imidodicarbonimidic diamide
CID 2969603
N-(3-chloro-2-methylphenyl)imidodicarbonimidic diamide
CID 2943181
Unii-3YI7CT6416
CID 29765
N,N-Didemethylchlordimeform
CID 42141
2-Amino-3-chlorobenzonitrile
CID 12627363
Imidodicarbonimidic diamide, N-(4-chloro-2-methylphenyl)-
CID 2725584
5-Chloro-2-isocyanatobenzonitrile
CID 3850136
1-Amino-2-(4-chloro-2-methylphenyl)guanidine
CID 2826685
4-Chloro-1-isocyano-2-methylbenzene
CID 15445883

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-cyanophenyl)-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-(4-chloro-2-cyanophenyl)-1-(diaminomethylidene)guanidine (CID 2730570) is 2-(4-chloro-2-cyanophenyl)-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-(4-chloro-2-cyanophenyl)-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-(4-chloro-2-cyanophenyl)-1-(diaminomethylidene)guanidine is N#Cc1cc(Cl)ccc1/N=C(\N)N=C(N)N.
What is the InChIKey of 2-(4-chloro-2-cyanophenyl)-1-(diaminomethylidene)guanidine?
The InChIKey is OXQILUPNLGVNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN6/c10-6-1-2-7(5(3-6)4-11)15-9(14)16-8(12)13/h1-3H,(H6,12,13,14,15,16).
What are the key properties of 2-(4-chloro-2-cyanophenyl)-1-(diaminomethylidene)guanidine?
2-(4-chloro-2-cyanophenyl)-1-(diaminomethylidene)guanidine has a molecular weight of 236.67 g/mol, XLogP of 0.43, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-cyanophenyl)-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 2730570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).