2-[(2-methoxy-5-nitrophenyl)methylideneamino]guanidine

C9H11N5O3 — CID 70180753

IUPAC2-[(2-methoxy-5-nitrophenyl)methylideneamino]guanidine
SMILESCOc1ccc([N+](=O)[O-])cc1C=NN=C(N)N
InChIInChI=1S/C9H11N5O3/c1-17-8-3-2-7(14(15)16)4-6(8)5-12-13-9(10)11/h2-5H,1H3,(H4,10,11,13)
InChIKeyBJSDBBDPBJVLPY-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.21
Rot. Bonds4

About 2-[(2-methoxy-5-nitrophenyl)methylideneamino]guanidine

2-[(2-methoxy-5-nitrophenyl)methylideneamino]guanidine (PubChem CID 70180753) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-[(2-methoxy-5-nitrophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(2-methoxy-5-nitrophenyl)methylideneamino]guanidine
PubChem CID70180753
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name2-[(2-methoxy-5-nitrophenyl)methylideneamino]guanidine
SMILESCOc1ccc([N+](=O)[O-])cc1C=NN=C(N)N
InChIInChI=1S/C9H11N5O3/c1-17-8-3-2-7(14(15)16)4-6(8)5-12-13-9(10)11/h2-5H,1H3,(H4,10,11,13)
InChIKeyBJSDBBDPBJVLPY-UHFFFAOYSA-N
XLogP0.21
TPSA129.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine
CID 139982862
2-[(E)-[2-(2,5-dimethoxyphenyl)sulfanyl-5-nitrophenyl]methylideneamino]guanidine
CID 44572794
2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine
CID 66841899
[(2-methoxy-5-nitrophenyl)methylideneamino]thiourea
CID 57359197
2-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]guanidine;hydrochloride
CID 118705656
1,2-bis[(E)-(2-methoxy-4-nitrophenyl)methylideneamino]guanidine;hydrochloride
CID 21446273
2-[(3-methoxy-2,6-dinitrophenyl)methylideneamino]guanidine
CID 85064349
3-[(2-methoxy-5-nitrophenyl)methylideneamino]benzoic acid
CID 690081
(E)-3-(2-methoxy-5-nitrophenyl)prop-2-enal
CID 5381132
2-(2-methoxyphenoxy)-5-nitrobenzaldehyde
CID 43113890
N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]-5H-tetrazol-5-amine
CID 6872148
N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide
CID 76934973

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-nitrophenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(2-methoxy-5-nitrophenyl)methylideneamino]guanidine (CID 70180753) is 2-[(2-methoxy-5-nitrophenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(2-methoxy-5-nitrophenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(2-methoxy-5-nitrophenyl)methylideneamino]guanidine is COc1ccc([N+](=O)[O-])cc1C=NN=C(N)N.
What is the InChIKey of 2-[(2-methoxy-5-nitrophenyl)methylideneamino]guanidine?
The InChIKey is BJSDBBDPBJVLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3/c1-17-8-3-2-7(14(15)16)4-6(8)5-12-13-9(10)11/h2-5H,1H3,(H4,10,11,13).
What are the key properties of 2-[(2-methoxy-5-nitrophenyl)methylideneamino]guanidine?
2-[(2-methoxy-5-nitrophenyl)methylideneamino]guanidine has a molecular weight of 237.22 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-nitrophenyl)methylideneamino]guanidine is sourced from PubChem (CID 70180753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).