N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]methanamine

C8H8ClN3O2 — CID 94841683

IUPACN-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]methanamine
SMILESCN/N=C\c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C8H8ClN3O2/c1-10-11-5-6-4-7(12(13)14)2-3-8(6)9/h2-5,10H,1H3/b11-5-
InChIKeyWMIXRZRBPHUCRY-WZUFQYTHSA-N
MW213.62 g/mol
LogP1.80
Rot. Bonds3

About N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]methanamine

N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]methanamine (PubChem CID 94841683) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]methanamine.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]methanamine
PubChem CID94841683
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC NameN-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]methanamine
SMILESCN/N=C\c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C8H8ClN3O2/c1-10-11-5-6-4-7(12(13)14)2-3-8(6)9/h2-5,10H,1H3/b11-5-
InChIKeyWMIXRZRBPHUCRY-WZUFQYTHSA-N
XLogP1.80
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.80
H-Bond Donors ≤ 51
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

1,3-bis[(E)-(2-chloro-5-nitrophenyl)methylideneamino]urea
CID 126842911
N-[(2-chloro-5-nitrophenyl)methylideneamino]-5-nitropyridin-2-amine
CID 3684648
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-methylbenzamide
CID 5417751
N-[(2-chloro-5-nitrophenyl)methylideneamino]hexanamide
CID 4955557
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 5414600
4-[(2-chloro-5-nitrophenyl)methylideneamino]-N,N-dimethylaniline
CID 126104463
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide
CID 9016544
1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine
CID 792217
1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine
CID 3109084
2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide
CID 4507805
2-(4-tert-butylphenyl)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide
CID 126259033
2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine
CID 66841899

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]methanamine?
The IUPAC name of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]methanamine (CID 94841683) is N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]methanamine.
What is the SMILES notation for N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]methanamine?
The canonical SMILES for N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]methanamine is CN/N=C\c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]methanamine?
The InChIKey is WMIXRZRBPHUCRY-WZUFQYTHSA-N. The full InChI is InChI=1S/C8H8ClN3O2/c1-10-11-5-6-4-7(12(13)14)2-3-8(6)9/h2-5,10H,1H3/b11-5-.
What are the key properties of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]methanamine?
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]methanamine has a molecular weight of 213.62 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]methanamine is sourced from PubChem (CID 94841683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).