ethyl 2-(5-chloro-2-hydroxyphenyl)-2-iminoacetate

C10H10ClNO3 — CID 169171167

IUPACethyl 2-(5-chloro-2-hydroxyphenyl)-2-iminoacetate
SMILES[H]/N=C(\C(=O)OCC)c1cc(Cl)ccc1O
InChIInChI=1S/C10H10ClNO3/c1-2-15-10(14)9(12)7-5-6(11)3-4-8(7)13/h3-5,12-13H,2H2,1H3/b12-9-
InChIKeyGSHZWVTUJYTNQC-XFXZXTDPSA-N
MW227.65 g/mol
LogP1.98
Rot. Bonds3

About ethyl 2-(5-chloro-2-hydroxyphenyl)-2-iminoacetate

ethyl 2-(5-chloro-2-hydroxyphenyl)-2-iminoacetate (PubChem CID 169171167) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is ethyl 2-(5-chloro-2-hydroxyphenyl)-2-iminoacetate.

Molecular Properties

Compound Nameethyl 2-(5-chloro-2-hydroxyphenyl)-2-iminoacetate
PubChem CID169171167
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Nameethyl 2-(5-chloro-2-hydroxyphenyl)-2-iminoacetate
SMILES[H]/N=C(\C(=O)OCC)c1cc(Cl)ccc1O
InChIInChI=1S/C10H10ClNO3/c1-2-15-10(14)9(12)7-5-6(11)3-4-8(7)13/h3-5,12-13H,2H2,1H3/b12-9-
InChIKeyGSHZWVTUJYTNQC-XFXZXTDPSA-N
XLogP1.98
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-amino-5-bromophenyl)-2-iminoacetate
CID 142835798
ethyl 2-(5-chloro-2-iodophenyl)-2-oxoacetate
CID 139220418
propyl 5-chloro-2-hydroxybenzoate
CID 43389601
ethyl (E)-3-(5-chloro-2-hydroxyphenyl)-2-methylprop-2-enoate
CID 15311955
ethyl 2-imino-2-[2-methyl-5-(trifluoromethyl)phenyl]acetate
CID 142411252
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
ethyl 2-imino-2-(4-iodophenyl)acetate
CID 146651641
ethyl 4-[(5-chloro-2-hydroxybenzoyl)amino]butanoate
CID 60520407
2-[4-chloro-2-(2-methoxy-2-oxoethanimidoyl)anilino]acetic acid
CID 129229320
ethyl 4-(5-chloro-2-methylphenyl)-2,4-dioxobutanoate
CID 90277033
methyl 5-chloro-2-(2-ethoxy-2-oxoacetyl)benzoate
CID 146010455
4,4,4-trichloro-1-(5-chloro-2-hydroxyphenyl)-3-iminobutan-1-one
CID 7313162

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chloro-2-hydroxyphenyl)-2-iminoacetate?
The IUPAC name of ethyl 2-(5-chloro-2-hydroxyphenyl)-2-iminoacetate (CID 169171167) is ethyl 2-(5-chloro-2-hydroxyphenyl)-2-iminoacetate.
What is the SMILES notation for ethyl 2-(5-chloro-2-hydroxyphenyl)-2-iminoacetate?
The canonical SMILES for ethyl 2-(5-chloro-2-hydroxyphenyl)-2-iminoacetate is [H]/N=C(\C(=O)OCC)c1cc(Cl)ccc1O.
What is the InChIKey of ethyl 2-(5-chloro-2-hydroxyphenyl)-2-iminoacetate?
The InChIKey is GSHZWVTUJYTNQC-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-2-15-10(14)9(12)7-5-6(11)3-4-8(7)13/h3-5,12-13H,2H2,1H3/b12-9-.
What are the key properties of ethyl 2-(5-chloro-2-hydroxyphenyl)-2-iminoacetate?
ethyl 2-(5-chloro-2-hydroxyphenyl)-2-iminoacetate has a molecular weight of 227.65 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chloro-2-hydroxyphenyl)-2-iminoacetate is sourced from PubChem (CID 169171167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).