(1Z)-2-chloro-N-hydroxy-6-methoxybenzenecarboximidoyl chloride

C8H7Cl2NO2 — CID 106892085

IUPAC(1Z)-2-chloro-N-hydroxy-6-methoxybenzenecarboximidoyl chloride
SMILESCOc1cccc(Cl)c1/C(Cl)=N/O
InChIInChI=1S/C8H7Cl2NO2/c1-13-6-4-2-3-5(9)7(6)8(10)11-12/h2-4,12H,1H3/b11-8-
InChIKeyVTDADOIVKANLED-FLIBITNWSA-N
MW220.06 g/mol
LogP2.72
Rot. Bonds2

About (1Z)-2-chloro-N-hydroxy-6-methoxybenzenecarboximidoyl chloride

(1Z)-2-chloro-N-hydroxy-6-methoxybenzenecarboximidoyl chloride (PubChem CID 106892085) has the molecular formula C8H7Cl2NO2 and a molecular weight of 220.06 g/mol. Its IUPAC name is (1Z)-2-chloro-N-hydroxy-6-methoxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-2-chloro-N-hydroxy-6-methoxybenzenecarboximidoyl chloride
PubChem CID106892085
Molecular FormulaC8H7Cl2NO2
Molecular Weight220.06 g/mol
Exact Mass218.99
IUPAC Name(1Z)-2-chloro-N-hydroxy-6-methoxybenzenecarboximidoyl chloride
SMILESCOc1cccc(Cl)c1/C(Cl)=N/O
InChIInChI=1S/C8H7Cl2NO2/c1-13-6-4-2-3-5(9)7(6)8(10)11-12/h2-4,12H,1H3/b11-8-
InChIKeyVTDADOIVKANLED-FLIBITNWSA-N
XLogP2.72
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(2-chloro-6-methoxyphenyl)-N-methoxyethanimine
CID 135075756
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
(1Z)-N-hydroxy-2,3-dimethoxybenzenecarboximidoyl chloride
CID 106892044
2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
CID 117305827
1-chloro-2-methoxybenzene
CID 13011
1-(2-chloro-6-methoxyphenyl)-2,2-difluoropropan-1-one
CID 131187635
[(2,6-dichlorophenyl)-(2,6-dimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 159912845
lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide
CID 141023114
(NE)-N-[(2,6-dichlorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine
CID 10957418
(3E)-N-hydroxy-4-methoxy-1H-indole-3-carboximidoyl chloride
CID 137028256
(3-chloro-2,6-dimethoxyphenyl)-(2-chloro-6-methoxyphenyl)methanone
CID 152725643
CID 159993809
CID 159993809

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-chloro-N-hydroxy-6-methoxybenzenecarboximidoyl chloride?
The IUPAC name of (1Z)-2-chloro-N-hydroxy-6-methoxybenzenecarboximidoyl chloride (CID 106892085) is (1Z)-2-chloro-N-hydroxy-6-methoxybenzenecarboximidoyl chloride.
What is the SMILES notation for (1Z)-2-chloro-N-hydroxy-6-methoxybenzenecarboximidoyl chloride?
The canonical SMILES for (1Z)-2-chloro-N-hydroxy-6-methoxybenzenecarboximidoyl chloride is COc1cccc(Cl)c1/C(Cl)=N/O.
What is the InChIKey of (1Z)-2-chloro-N-hydroxy-6-methoxybenzenecarboximidoyl chloride?
The InChIKey is VTDADOIVKANLED-FLIBITNWSA-N. The full InChI is InChI=1S/C8H7Cl2NO2/c1-13-6-4-2-3-5(9)7(6)8(10)11-12/h2-4,12H,1H3/b11-8-.
What are the key properties of (1Z)-2-chloro-N-hydroxy-6-methoxybenzenecarboximidoyl chloride?
(1Z)-2-chloro-N-hydroxy-6-methoxybenzenecarboximidoyl chloride has a molecular weight of 220.06 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-chloro-N-hydroxy-6-methoxybenzenecarboximidoyl chloride is sourced from PubChem (CID 106892085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).