(1Z)-2-amino-N-(3-fluoro-2-hydroxy-4-iodoanilino)-2-iminoethanimidoyl cyanide

C9H7FIN5O — CID 172979869

IUPAC(1Z)-2-amino-N-(3-fluoro-2-hydroxy-4-iodoanilino)-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(I)c(F)c1O
InChIInChI=1S/C9H7FIN5O/c10-7-4(11)1-2-5(8(7)17)15-16-6(3-12)9(13)14/h1-2,15,17H,(H3,13,14)/b16-6+
InChIKeyAJHMCQAJAJJWJB-OMCISZLKSA-N
MW347.09 g/mol
LogP1.36
Rot. Bonds3

About (1Z)-2-amino-N-(3-fluoro-2-hydroxy-4-iodoanilino)-2-iminoethanimidoyl cyanide

(1Z)-2-amino-N-(3-fluoro-2-hydroxy-4-iodoanilino)-2-iminoethanimidoyl cyanide (PubChem CID 172979869) has the molecular formula C9H7FIN5O and a molecular weight of 347.09 g/mol. Its IUPAC name is (1Z)-2-amino-N-(3-fluoro-2-hydroxy-4-iodoanilino)-2-iminoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-N-(3-fluoro-2-hydroxy-4-iodoanilino)-2-iminoethanimidoyl cyanide
PubChem CID172979869
Molecular FormulaC9H7FIN5O
Molecular Weight347.09 g/mol
Exact Mass346.97
IUPAC Name(1Z)-2-amino-N-(3-fluoro-2-hydroxy-4-iodoanilino)-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(I)c(F)c1O
InChIInChI=1S/C9H7FIN5O/c10-7-4(11)1-2-5(8(7)17)15-16-6(3-12)9(13)14/h1-2,15,17H,(H3,13,14)/b16-6+
InChIKeyAJHMCQAJAJJWJB-OMCISZLKSA-N
XLogP1.36
TPSA118.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.09
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(1Z)-2-amino-N-(2-fluoro-4-iodoanilino)-2-iminoethanimidoyl cyanide
CID 172931612
(1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide
CID 172980468
(1Z)-2-amino-N-(4-cyano-2-fluoroanilino)-2-iminoethanimidoyl cyanide
CID 172980111
(1Z)-2-amino-N-(6-bromo-2-hydroxy-3-iodoanilino)-2-iminoethanimidoyl cyanide
CID 172976805
(1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide
CID 172976781
(1Z)-2-amino-N-(4-bromo-2-hydroxyanilino)-2-iminoethanimidoyl cyanide
CID 172931849
(1Z)-2-amino-N-[4-fluoro-2-(trifluoromethyl)anilino]-2-iminoethanimidoyl cyanide
CID 172931626
(1Z)-2-amino-N-(5-bromo-2-fluoroanilino)-2-iminoethanimidoyl cyanide
CID 172931715
(1Z)-2-amino-N-(5-chloro-2,3-difluoroanilino)-2-iminoethanimidoyl cyanide
CID 172980243
(1Z)-N-(3-acetyl-2-hydroxyanilino)-2-amino-2-iminoethanimidoyl cyanide
CID 172980128
(1Z)-2-amino-N-(3-fluoro-2-methyl-4-nitroanilino)-2-iminoethanimidoyl cyanide
CID 172978534
(1Z)-2-amino-N-(4-hydroxyanilino)-2-iminoethanimidoyl cyanide
CID 172931572

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-N-(3-fluoro-2-hydroxy-4-iodoanilino)-2-iminoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-N-(3-fluoro-2-hydroxy-4-iodoanilino)-2-iminoethanimidoyl cyanide (CID 172979869) is (1Z)-2-amino-N-(3-fluoro-2-hydroxy-4-iodoanilino)-2-iminoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-N-(3-fluoro-2-hydroxy-4-iodoanilino)-2-iminoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-N-(3-fluoro-2-hydroxy-4-iodoanilino)-2-iminoethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccc(I)c(F)c1O.
What is the InChIKey of (1Z)-2-amino-N-(3-fluoro-2-hydroxy-4-iodoanilino)-2-iminoethanimidoyl cyanide?
The InChIKey is AJHMCQAJAJJWJB-OMCISZLKSA-N. The full InChI is InChI=1S/C9H7FIN5O/c10-7-4(11)1-2-5(8(7)17)15-16-6(3-12)9(13)14/h1-2,15,17H,(H3,13,14)/b16-6+.
What are the key properties of (1Z)-2-amino-N-(3-fluoro-2-hydroxy-4-iodoanilino)-2-iminoethanimidoyl cyanide?
(1Z)-2-amino-N-(3-fluoro-2-hydroxy-4-iodoanilino)-2-iminoethanimidoyl cyanide has a molecular weight of 347.09 g/mol, XLogP of 1.36, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-N-(3-fluoro-2-hydroxy-4-iodoanilino)-2-iminoethanimidoyl cyanide is sourced from PubChem (CID 172979869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).