(1E)-2-chloro-N-hydroxy-5-methoxybenzenecarboximidoyl chloride

C8H7Cl2NO2 — CID 88769229

IUPAC(1E)-2-chloro-N-hydroxy-5-methoxybenzenecarboximidoyl chloride
SMILESCOc1ccc(Cl)c(/C(Cl)=N\O)c1
InChIInChI=1S/C8H7Cl2NO2/c1-13-5-2-3-7(9)6(4-5)8(10)11-12/h2-4,12H,1H3/b11-8+
InChIKeyYYRZJFVEPHDRTD-DHZHZOJOSA-N
MW220.06 g/mol
LogP2.72
Rot. Bonds2

About (1E)-2-chloro-N-hydroxy-5-methoxybenzenecarboximidoyl chloride

(1E)-2-chloro-N-hydroxy-5-methoxybenzenecarboximidoyl chloride (PubChem CID 88769229) has the molecular formula C8H7Cl2NO2 and a molecular weight of 220.06 g/mol. Its IUPAC name is (1E)-2-chloro-N-hydroxy-5-methoxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1E)-2-chloro-N-hydroxy-5-methoxybenzenecarboximidoyl chloride
PubChem CID88769229
Molecular FormulaC8H7Cl2NO2
Molecular Weight220.06 g/mol
Exact Mass218.99
IUPAC Name(1E)-2-chloro-N-hydroxy-5-methoxybenzenecarboximidoyl chloride
SMILESCOc1ccc(Cl)c(/C(Cl)=N\O)c1
InChIInChI=1S/C8H7Cl2NO2/c1-13-5-2-3-7(9)6(4-5)8(10)11-12/h2-4,12H,1H3/b11-8+
InChIKeyYYRZJFVEPHDRTD-DHZHZOJOSA-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

2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid
CID 117305828
1-(2-chloro-5-methoxyphenyl)prop-2-en-1-one
CID 130136741
2-bromo-1-(2-chloro-5-methoxyphenyl)-2,2-difluoroethanone
CID 130136738
(2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone
CID 164894070
2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride
CID 153354866
(1Z)-2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride
CID 155775657
1-chloro-4-methoxy-2-[(Z)-1-prop-1-en-2-yloxyprop-1-enyl]benzene
CID 145351618
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
(2-chloro-5-methoxyphenyl)-trifluoroboranuide
CID 63675456
methyl 2-[(2-chloro-5-methoxybenzoyl)amino]-2-oxoacetate
CID 174480736
4-chloro-1-(2-chloro-5-methoxyphenyl)butan-1-one
CID 82050615
2-chloro-1-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]-4-methoxybenzene
CID 165362713

Frequently Asked Questions

What is the IUPAC name of (1E)-2-chloro-N-hydroxy-5-methoxybenzenecarboximidoyl chloride?
The IUPAC name of (1E)-2-chloro-N-hydroxy-5-methoxybenzenecarboximidoyl chloride (CID 88769229) is (1E)-2-chloro-N-hydroxy-5-methoxybenzenecarboximidoyl chloride.
What is the SMILES notation for (1E)-2-chloro-N-hydroxy-5-methoxybenzenecarboximidoyl chloride?
The canonical SMILES for (1E)-2-chloro-N-hydroxy-5-methoxybenzenecarboximidoyl chloride is COc1ccc(Cl)c(/C(Cl)=N\O)c1.
What is the InChIKey of (1E)-2-chloro-N-hydroxy-5-methoxybenzenecarboximidoyl chloride?
The InChIKey is YYRZJFVEPHDRTD-DHZHZOJOSA-N. The full InChI is InChI=1S/C8H7Cl2NO2/c1-13-5-2-3-7(9)6(4-5)8(10)11-12/h2-4,12H,1H3/b11-8+.
What are the key properties of (1E)-2-chloro-N-hydroxy-5-methoxybenzenecarboximidoyl chloride?
(1E)-2-chloro-N-hydroxy-5-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 (1E)-2-chloro-N-hydroxy-5-methoxybenzenecarboximidoyl chloride is sourced from PubChem (CID 88769229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).