N-ethynyl-2-methoxybenzenecarboximidoyl chloride

C10H8ClNO — CID 166806658

IUPACN-ethynyl-2-methoxybenzenecarboximidoyl chloride
SMILESC#C/N=C(\Cl)c1ccccc1OC
InChIInChI=1S/C10H8ClNO/c1-3-12-10(11)8-6-4-5-7-9(8)13-2/h1,4-7H,2H3/b12-10-
InChIKeyUASWAMMDBWRTGT-BENRWUELSA-N
MW193.63 g/mol
LogP2.27
Rot. Bonds2

About N-ethynyl-2-methoxybenzenecarboximidoyl chloride

N-ethynyl-2-methoxybenzenecarboximidoyl chloride (PubChem CID 166806658) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is N-ethynyl-2-methoxybenzenecarboximidoyl chloride.

Molecular Properties

Compound NameN-ethynyl-2-methoxybenzenecarboximidoyl chloride
PubChem CID166806658
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC NameN-ethynyl-2-methoxybenzenecarboximidoyl chloride
SMILESC#C/N=C(\Cl)c1ccccc1OC
InChIInChI=1S/C10H8ClNO/c1-3-12-10(11)8-6-4-5-7-9(8)13-2/h1,4-7H,2H3/b12-10-
InChIKeyUASWAMMDBWRTGT-BENRWUELSA-N
XLogP2.27
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethynyl-2-methoxybenzenecarboximidoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-2-(2-methoxyphenyl)ethenone
CID 87462542
1-[(Z)-1,2-dichloroprop-1-enyl]-2-methoxybenzene
CID 118255169
3-chloro-3-(2-methoxyphenyl)prop-2-enenitrile
CID 74864079
(NZ,1Z)-N-(4-chlorodithiazol-5-ylidene)-2-methoxybenzenecarbohydrazonoyl chloride
CID 10936096
(1Z)-N-hydroxy-2,3-dimethoxybenzenecarboximidoyl chloride
CID 106892044
2-methoxy-N'-methylbenzenecarboximidamide
CID 63181922
1-[(E)-1,2-diiodo-2-phenylethenyl]-2-methoxybenzene
CID 122376703
3-chloro-3-(2-methoxyphenyl)-2-phenylprop-2-enenitrile
CID 76922450
1-methoxy-2-[1-[1-(2-methoxyphenyl)ethenoxy]ethenyl]benzene
CID 69260601
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
CID 135043978
CID 135043978
2-methoxybenzoyl iodide
CID 139677083

Frequently Asked Questions

What is the IUPAC name of N-ethynyl-2-methoxybenzenecarboximidoyl chloride?
The IUPAC name of N-ethynyl-2-methoxybenzenecarboximidoyl chloride (CID 166806658) is N-ethynyl-2-methoxybenzenecarboximidoyl chloride.
What is the SMILES notation for N-ethynyl-2-methoxybenzenecarboximidoyl chloride?
The canonical SMILES for N-ethynyl-2-methoxybenzenecarboximidoyl chloride is C#C/N=C(\Cl)c1ccccc1OC.
What is the InChIKey of N-ethynyl-2-methoxybenzenecarboximidoyl chloride?
The InChIKey is UASWAMMDBWRTGT-BENRWUELSA-N. The full InChI is InChI=1S/C10H8ClNO/c1-3-12-10(11)8-6-4-5-7-9(8)13-2/h1,4-7H,2H3/b12-10-.
What are the key properties of N-ethynyl-2-methoxybenzenecarboximidoyl chloride?
N-ethynyl-2-methoxybenzenecarboximidoyl chloride has a molecular weight of 193.63 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethynyl-2-methoxybenzenecarboximidoyl chloride is sourced from PubChem (CID 166806658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).