2-chloro-N'-(6-cyano-3-hydroxy-2-methylphenyl)ethanimidamide

C10H10ClN3O — CID 169369060

IUPAC2-chloro-N'-(6-cyano-3-hydroxy-2-methylphenyl)ethanimidamide
SMILESCc1c(O)ccc(C#N)c1/N=C(/N)CCl
InChIInChI=1S/C10H10ClN3O/c1-6-8(15)3-2-7(5-12)10(6)14-9(13)4-11/h2-3,15H,4H2,1H3,(H2,13,14)
InChIKeyGZZUOIZYQWKGLR-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.80
Rot. Bonds2

About 2-chloro-N'-(6-cyano-3-hydroxy-2-methylphenyl)ethanimidamide

2-chloro-N'-(6-cyano-3-hydroxy-2-methylphenyl)ethanimidamide (PubChem CID 169369060) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-chloro-N'-(6-cyano-3-hydroxy-2-methylphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(6-cyano-3-hydroxy-2-methylphenyl)ethanimidamide
PubChem CID169369060
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name2-chloro-N'-(6-cyano-3-hydroxy-2-methylphenyl)ethanimidamide
SMILESCc1c(O)ccc(C#N)c1/N=C(/N)CCl
InChIInChI=1S/C10H10ClN3O/c1-6-8(15)3-2-7(5-12)10(6)14-9(13)4-11/h2-3,15H,4H2,1H3,(H2,13,14)
InChIKeyGZZUOIZYQWKGLR-UHFFFAOYSA-N
XLogP1.80
TPSA82.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N'-(6-cyano-3-methoxy-2-methylphenyl)ethanimidamide
CID 169366267
2-chloro-N'-(2,4-dicyano-6-methylphenyl)ethanimidamide
CID 169369151
2-chloro-N'-[2-cyano-6-iodo-4-(trifluoromethyl)phenyl]ethanimidamide
CID 169366449
2-chloro-N'-(2,6-dichloro-4-cyanophenyl)ethanimidamide
CID 169369477
2-bromo-4-hydroxy-3-methylbenzonitrile
CID 131627125
N'-(4-bromo-2-cyanophenyl)-2-chloroethanimidamide
CID 169369696
2-chloro-N'-(4,5-dichloro-2-cyanophenyl)ethanimidamide
CID 169369229
2-chloro-N'-(2,6-difluoro-3-methylphenyl)ethanimidamide
CID 169366726
2-chloro-N'-(2-cyano-4,5-diethoxyphenyl)ethanimidamide
CID 169369665
2-chloro-N'-(2-chloro-4-cyano-6-iodophenyl)ethanimidamide
CID 169366175
3-cyano-N-(diaminomethylidene)-6-hydroxy-2-methylbenzamide
CID 146508171
N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide
CID 169369458

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(6-cyano-3-hydroxy-2-methylphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(6-cyano-3-hydroxy-2-methylphenyl)ethanimidamide (CID 169369060) is 2-chloro-N'-(6-cyano-3-hydroxy-2-methylphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(6-cyano-3-hydroxy-2-methylphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(6-cyano-3-hydroxy-2-methylphenyl)ethanimidamide is Cc1c(O)ccc(C#N)c1/N=C(/N)CCl.
What is the InChIKey of 2-chloro-N'-(6-cyano-3-hydroxy-2-methylphenyl)ethanimidamide?
The InChIKey is GZZUOIZYQWKGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-6-8(15)3-2-7(5-12)10(6)14-9(13)4-11/h2-3,15H,4H2,1H3,(H2,13,14).
What are the key properties of 2-chloro-N'-(6-cyano-3-hydroxy-2-methylphenyl)ethanimidamide?
2-chloro-N'-(6-cyano-3-hydroxy-2-methylphenyl)ethanimidamide has a molecular weight of 223.66 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(6-cyano-3-hydroxy-2-methylphenyl)ethanimidamide is sourced from PubChem (CID 169369060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).