1-(5-chloro-2-nitrophenyl)-N-methoxymethanimine

C8H7ClN2O3 — CID 141425579

IUPAC1-(5-chloro-2-nitrophenyl)-N-methoxymethanimine
SMILESCON=Cc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H7ClN2O3/c1-14-10-5-6-4-7(9)2-3-8(6)11(12)13/h2-5H,1H3
InChIKeyRWFPNCBFHPLZJE-UHFFFAOYSA-N
MW214.61 g/mol
LogP2.23
Rot. Bonds3

About 1-(5-chloro-2-nitrophenyl)-N-methoxymethanimine

1-(5-chloro-2-nitrophenyl)-N-methoxymethanimine (PubChem CID 141425579) has the molecular formula C8H7ClN2O3 and a molecular weight of 214.61 g/mol. Its IUPAC name is 1-(5-chloro-2-nitrophenyl)-N-methoxymethanimine.

Molecular Properties

Compound Name1-(5-chloro-2-nitrophenyl)-N-methoxymethanimine
PubChem CID141425579
Molecular FormulaC8H7ClN2O3
Molecular Weight214.61 g/mol
Exact Mass214.01
IUPAC Name1-(5-chloro-2-nitrophenyl)-N-methoxymethanimine
SMILESCON=Cc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H7ClN2O3/c1-14-10-5-6-4-7(9)2-3-8(6)11(12)13/h2-5H,1H3
InChIKeyRWFPNCBFHPLZJE-UHFFFAOYSA-N
XLogP2.23
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.61
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-[(E)-(5-chloro-2-nitrophenyl)methylidenehydrazinylidene]methyl]phenol
CID 136732744
(E)-4-(5-chloro-2-nitrophenyl)but-3-en-2-ol
CID 5363193
1-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]-N-methoxymethanimine
CID 2766462
3-(5-chloro-2-nitrophenyl)-N-methylprop-2-en-1-amine
CID 169473983
3-(5-chloro-2-nitrophenyl)prop-2-enoic acid
CID 602317
(Z)-3-(5-chloro-2-nitrophenyl)prop-2-enoic acid
CID 97115039
2-[(E)-2-[(E)-but-2-enoxy]ethenyl]-4-chloro-1-nitrobenzene
CID 101388083
(E)-3-(5-chloro-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoic acid
CID 177311265
3-[(E)-2-(5-chloro-2-nitrophenyl)ethenyl]-2-methoxyquinoline
CID 11405090
CID 58762875
CID 58762875
N-(3-chlorophenyl)-1-(4,5-dimethoxy-2-nitrophenyl)methanimine
CID 139227482
N'-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 6049220

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-nitrophenyl)-N-methoxymethanimine?
The IUPAC name of 1-(5-chloro-2-nitrophenyl)-N-methoxymethanimine (CID 141425579) is 1-(5-chloro-2-nitrophenyl)-N-methoxymethanimine.
What is the SMILES notation for 1-(5-chloro-2-nitrophenyl)-N-methoxymethanimine?
The canonical SMILES for 1-(5-chloro-2-nitrophenyl)-N-methoxymethanimine is CON=Cc1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 1-(5-chloro-2-nitrophenyl)-N-methoxymethanimine?
The InChIKey is RWFPNCBFHPLZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O3/c1-14-10-5-6-4-7(9)2-3-8(6)11(12)13/h2-5H,1H3.
What are the key properties of 1-(5-chloro-2-nitrophenyl)-N-methoxymethanimine?
1-(5-chloro-2-nitrophenyl)-N-methoxymethanimine has a molecular weight of 214.61 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-nitrophenyl)-N-methoxymethanimine is sourced from PubChem (CID 141425579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).