ethyl 5-chloro-2-methoxybenzenecarboximidate;hydrochloride

C10H13Cl2NO2 — CID 66851771

IUPACethyl 5-chloro-2-methoxybenzenecarboximidate;hydrochloride
SMILESCl.[H]/N=C(\OCC)c1cc(Cl)ccc1OC
InChIInChI=1S/C10H12ClNO2.ClH/c1-3-14-10(12)8-6-7(11)4-5-9(8)13-2;/h4-6,12H,3H2,1-2H3;1H/b12-10-;
InChIKeyQFKMYEUPIQLIAX-BBJSDXRSSA-N
MW250.12 g/mol
LogP3.13
Rot. Bonds3

About ethyl 5-chloro-2-methoxybenzenecarboximidate;hydrochloride

ethyl 5-chloro-2-methoxybenzenecarboximidate;hydrochloride (PubChem CID 66851771) has the molecular formula C10H13Cl2NO2 and a molecular weight of 250.12 g/mol. Its IUPAC name is ethyl 5-chloro-2-methoxybenzenecarboximidate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-chloro-2-methoxybenzenecarboximidate;hydrochloride
PubChem CID66851771
Molecular FormulaC10H13Cl2NO2
Molecular Weight250.12 g/mol
Exact Mass249.03
IUPAC Nameethyl 5-chloro-2-methoxybenzenecarboximidate;hydrochloride
SMILESCl.[H]/N=C(\OCC)c1cc(Cl)ccc1OC
InChIInChI=1S/C10H12ClNO2.ClH/c1-3-14-10(12)8-6-7(11)4-5-9(8)13-2;/h4-6,12H,3H2,1-2H3;1H/b12-10-;
InChIKeyQFKMYEUPIQLIAX-BBJSDXRSSA-N
XLogP3.13
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-Chloro-2-methylanisole
CID 76748
5-(5-Chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione
CID 701063
(5-Chloro-2-prop-2-ynyloxyphenyl)(hydroxyimino)methane
CID 6898091
5-Chloro-2-ethoxybenzaldehyde oxime
CID 6898186
5-Chloro-2-[(2-chlorobenzyl)oxy]benzaldehyde oxime
CID 6898137
2-(4-Chloro-2-methylphenoxy)propanenitrile
CID 60644249
(2R)-2-(4-chloro-2-methylphenoxy)propanenitrile
CID 138683295
(5-Chloro-2-methoxyphenyl)methanol
CID 4357585
4-Chloro-2-(chloromethyl)-1-ethoxybenzene
CID 43141958
N-[(4,6-dichloro-2H-chromen-3-yl)methylidene]hydroxylamine
CID 2739681
(NZ)-N-[(4,6-dichloro-2H-chromen-3-yl)methylidene]hydroxylamine
CID 5703162
6-Chloro-2-iminochromene-3-carbonitrile
CID 4183278

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2-methoxybenzenecarboximidate;hydrochloride?
The IUPAC name of ethyl 5-chloro-2-methoxybenzenecarboximidate;hydrochloride (CID 66851771) is ethyl 5-chloro-2-methoxybenzenecarboximidate;hydrochloride.
What is the SMILES notation for ethyl 5-chloro-2-methoxybenzenecarboximidate;hydrochloride?
The canonical SMILES for ethyl 5-chloro-2-methoxybenzenecarboximidate;hydrochloride is Cl.[H]/N=C(\OCC)c1cc(Cl)ccc1OC.
What is the InChIKey of ethyl 5-chloro-2-methoxybenzenecarboximidate;hydrochloride?
The InChIKey is QFKMYEUPIQLIAX-BBJSDXRSSA-N. The full InChI is InChI=1S/C10H12ClNO2.ClH/c1-3-14-10(12)8-6-7(11)4-5-9(8)13-2;/h4-6,12H,3H2,1-2H3;1H/b12-10-;.
What are the key properties of ethyl 5-chloro-2-methoxybenzenecarboximidate;hydrochloride?
ethyl 5-chloro-2-methoxybenzenecarboximidate;hydrochloride has a molecular weight of 250.12 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-2-methoxybenzenecarboximidate;hydrochloride is sourced from PubChem (CID 66851771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).