ethyl 2-chloro-6-methoxybenzenecarboximidate

C10H12ClNO2 — CID 104817644

IUPACethyl 2-chloro-6-methoxybenzenecarboximidate
SMILES[H]/N=C(\OCC)c1c(Cl)cccc1OC
InChIInChI=1S/C10H12ClNO2/c1-3-14-10(12)9-7(11)5-4-6-8(9)13-2/h4-6,12H,3H2,1-2H3/b12-10-
InChIKeyAJALSDOWHOSJFU-BENRWUELSA-N
MW213.66 g/mol
LogP2.71
Rot. Bonds3

About ethyl 2-chloro-6-methoxybenzenecarboximidate

ethyl 2-chloro-6-methoxybenzenecarboximidate (PubChem CID 104817644) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is ethyl 2-chloro-6-methoxybenzenecarboximidate.

Molecular Properties

Compound Nameethyl 2-chloro-6-methoxybenzenecarboximidate
PubChem CID104817644
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Nameethyl 2-chloro-6-methoxybenzenecarboximidate
SMILES[H]/N=C(\OCC)c1c(Cl)cccc1OC
InChIInChI=1S/C10H12ClNO2/c1-3-14-10(12)9-7(11)5-4-6-8(9)13-2/h4-6,12H,3H2,1-2H3/b12-10-
InChIKeyAJALSDOWHOSJFU-BENRWUELSA-N
XLogP2.71
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.71
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

2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide
CID 62496011
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
ethyl 3-(2-chloro-6-methoxyphenyl)-3-oxo-2-phenylpropanoate;oxophosphanium
CID 172863601
2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 62497195
ethyl 2,4-dimethoxybenzenecarboximidate;hydrochloride
CID 22721088
ethyl 3-(2-chloro-6-methoxyphenyl)propanoate
CID 134632461
2-chloro-6-(diethylamino)benzenecarboximidamide
CID 62502596
2-(3-chloro-2-methoxyphenyl)ethanimidamide
CID 83676619
2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 103174833
ethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate
CID 22560922
2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
CID 117305827
(1Z)-2-chloro-N-hydroxy-6-methoxybenzenecarboximidoyl chloride
CID 106892085

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-6-methoxybenzenecarboximidate?
The IUPAC name of ethyl 2-chloro-6-methoxybenzenecarboximidate (CID 104817644) is ethyl 2-chloro-6-methoxybenzenecarboximidate.
What is the SMILES notation for ethyl 2-chloro-6-methoxybenzenecarboximidate?
The canonical SMILES for ethyl 2-chloro-6-methoxybenzenecarboximidate is [H]/N=C(\OCC)c1c(Cl)cccc1OC.
What is the InChIKey of ethyl 2-chloro-6-methoxybenzenecarboximidate?
The InChIKey is AJALSDOWHOSJFU-BENRWUELSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-3-14-10(12)9-7(11)5-4-6-8(9)13-2/h4-6,12H,3H2,1-2H3/b12-10-.
What are the key properties of ethyl 2-chloro-6-methoxybenzenecarboximidate?
ethyl 2-chloro-6-methoxybenzenecarboximidate has a molecular weight of 213.66 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-6-methoxybenzenecarboximidate is sourced from PubChem (CID 104817644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).