ethyl 5-chloro-2-methoxybenzenecarboximidate

C10H12ClNO2 — CID 66851468

IUPACethyl 5-chloro-2-methoxybenzenecarboximidate
SMILES[H]/N=C(\OCC)c1cc(Cl)ccc1OC
InChIInChI=1S/C10H12ClNO2/c1-3-14-10(12)8-6-7(11)4-5-9(8)13-2/h4-6,12H,3H2,1-2H3/b12-10-
InChIKeyQPYGXMGWVPDPET-BENRWUELSA-N
MW213.66 g/mol
LogP2.71
Rot. Bonds3

About ethyl 5-chloro-2-methoxybenzenecarboximidate

ethyl 5-chloro-2-methoxybenzenecarboximidate (PubChem CID 66851468) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is ethyl 5-chloro-2-methoxybenzenecarboximidate.

Molecular Properties

Compound Nameethyl 5-chloro-2-methoxybenzenecarboximidate
PubChem CID66851468
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Nameethyl 5-chloro-2-methoxybenzenecarboximidate
SMILES[H]/N=C(\OCC)c1cc(Cl)ccc1OC
InChIInChI=1S/C10H12ClNO2/c1-3-14-10(12)8-6-7(11)4-5-9(8)13-2/h4-6,12H,3H2,1-2H3/b12-10-
InChIKeyQPYGXMGWVPDPET-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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Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2-methoxybenzenecarboximidate?
The IUPAC name of ethyl 5-chloro-2-methoxybenzenecarboximidate (CID 66851468) is ethyl 5-chloro-2-methoxybenzenecarboximidate.
What is the SMILES notation for ethyl 5-chloro-2-methoxybenzenecarboximidate?
The canonical SMILES for ethyl 5-chloro-2-methoxybenzenecarboximidate is [H]/N=C(\OCC)c1cc(Cl)ccc1OC.
What is the InChIKey of ethyl 5-chloro-2-methoxybenzenecarboximidate?
The InChIKey is QPYGXMGWVPDPET-BENRWUELSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-3-14-10(12)8-6-7(11)4-5-9(8)13-2/h4-6,12H,3H2,1-2H3/b12-10-.
What are the key properties of ethyl 5-chloro-2-methoxybenzenecarboximidate?
ethyl 5-chloro-2-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 5-chloro-2-methoxybenzenecarboximidate is sourced from PubChem (CID 66851468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).