(1E)-2-amino-N-(2,6-dichloroanilino)-2-iminoethanimidoyl cyanide

C9H7Cl2N5 — CID 162440498

IUPAC(1E)-2-amino-N-(2,6-dichloroanilino)-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N\Nc1c(Cl)cccc1Cl
InChIInChI=1S/C9H7Cl2N5/c10-5-2-1-3-6(11)8(5)16-15-7(4-12)9(13)14/h1-3,16H,(H3,13,14)/b15-7-
InChIKeyJATBUVZTGANLAW-CHHVJCJISA-N
MW256.10 g/mol
LogP2.22
Rot. Bonds3

About (1E)-2-amino-N-(2,6-dichloroanilino)-2-iminoethanimidoyl cyanide

(1E)-2-amino-N-(2,6-dichloroanilino)-2-iminoethanimidoyl cyanide (PubChem CID 162440498) has the molecular formula C9H7Cl2N5 and a molecular weight of 256.10 g/mol. Its IUPAC name is (1E)-2-amino-N-(2,6-dichloroanilino)-2-iminoethanimidoyl cyanide.

Molecular Properties

Compound Name(1E)-2-amino-N-(2,6-dichloroanilino)-2-iminoethanimidoyl cyanide
PubChem CID162440498
Molecular FormulaC9H7Cl2N5
Molecular Weight256.10 g/mol
Exact Mass255.01
IUPAC Name(1E)-2-amino-N-(2,6-dichloroanilino)-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N\Nc1c(Cl)cccc1Cl
InChIInChI=1S/C9H7Cl2N5/c10-5-2-1-3-6(11)8(5)16-15-7(4-12)9(13)14/h1-3,16H,(H3,13,14)/b15-7-
InChIKeyJATBUVZTGANLAW-CHHVJCJISA-N
XLogP2.22
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-2-amino-N-[2-chloro-6-(2-hydroxy-3-methylphenyl)anilino]-2-iminoethanimidoyl cyanide
CID 172979697
(1Z)-2-amino-N-(2,4-dichloro-6-methylanilino)-2-iminoethanimidoyl cyanide
CID 172931915
(1Z)-2-amino-N-(3-chloro-4-methylanilino)-2-iminoethanimidoyl cyanide
CID 172931907
(1Z)-2-amino-N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]-2-iminoethanimidoyl cyanide
CID 172932081
(1Z)-2-amino-N-(2,4-dibromo-3,6-dichloroanilino)-2-iminoethanimidoyl cyanide
CID 172932026
(1Z)-2-amino-N-(3-chloro-4-hydroxyanilino)-2-iminoethanimidoyl cyanide
CID 172980240
2-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-6-chloro-3-methylbenzoic acid
CID 172977325
(1Z)-2-amino-N-(3-chloro-4-cyanoanilino)-2-iminoethanimidoyl cyanide
CID 172980323
(1Z)-2-amino-N-(2-bromo-3-methylanilino)-2-iminoethanimidoyl cyanide
CID 172931872
(1Z)-2-amino-N-(2-chloro-5-cyanoanilino)-2-iminoethanimidoyl cyanide
CID 172931799
(1Z)-2-amino-N-(2-cyano-6-methoxyanilino)-2-iminoethanimidoyl cyanide
CID 172977399
2-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-3-bromobenzoic acid
CID 172931696

Frequently Asked Questions

What is the IUPAC name of (1E)-2-amino-N-(2,6-dichloroanilino)-2-iminoethanimidoyl cyanide?
The IUPAC name of (1E)-2-amino-N-(2,6-dichloroanilino)-2-iminoethanimidoyl cyanide (CID 162440498) is (1E)-2-amino-N-(2,6-dichloroanilino)-2-iminoethanimidoyl cyanide.
What is the SMILES notation for (1E)-2-amino-N-(2,6-dichloroanilino)-2-iminoethanimidoyl cyanide?
The canonical SMILES for (1E)-2-amino-N-(2,6-dichloroanilino)-2-iminoethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N\Nc1c(Cl)cccc1Cl.
What is the InChIKey of (1E)-2-amino-N-(2,6-dichloroanilino)-2-iminoethanimidoyl cyanide?
The InChIKey is JATBUVZTGANLAW-CHHVJCJISA-N. The full InChI is InChI=1S/C9H7Cl2N5/c10-5-2-1-3-6(11)8(5)16-15-7(4-12)9(13)14/h1-3,16H,(H3,13,14)/b15-7-.
What are the key properties of (1E)-2-amino-N-(2,6-dichloroanilino)-2-iminoethanimidoyl cyanide?
(1E)-2-amino-N-(2,6-dichloroanilino)-2-iminoethanimidoyl cyanide has a molecular weight of 256.10 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-amino-N-(2,6-dichloroanilino)-2-iminoethanimidoyl cyanide is sourced from PubChem (CID 162440498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).