(2-nitrophenyl)methanimine

C7H6N2O2 — CID 19760322

IUPAC(2-nitrophenyl)methanimine
SMILES[H]/N=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C7H6N2O2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-5,8H/b8-5+
InChIKeyHMPLEXRVSNXHBA-VMPITWQZSA-N
MW150.14 g/mol
LogP1.59
Rot. Bonds2

About (2-nitrophenyl)methanimine

(2-nitrophenyl)methanimine (PubChem CID 19760322) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is (2-nitrophenyl)methanimine.

Molecular Properties

Compound Name(2-nitrophenyl)methanimine
PubChem CID19760322
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name(2-nitrophenyl)methanimine
SMILES[H]/N=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C7H6N2O2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-5,8H/b8-5+
InChIKeyHMPLEXRVSNXHBA-VMPITWQZSA-N
XLogP1.59
TPSA66.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

sodium 2-nitrobenzaldehyde
CID 23669302
ethane;2-nitrobenzaldehyde
CID 91029364
azanide;1,2-dinitrobenzene;platinum
CID 158959684
N-methyl-1-(2-nitrophenyl)methanimine oxide
CID 6193987
1-nitro-2-(2-nitroethenyl)benzene
CID 59408863
1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
[4-(2-nitrophenyl)pyrazolo[1,5-b]pyridazin-5-yl]methanimine
CID 89426898
methyl (Z)-2-hydroxy-3-(2-nitrophenyl)prop-2-enoate
CID 164745403
2-[(E)-2-(2-nitrophenyl)ethenyl]aniline
CID 11053766
2-[2-(2-nitrophenyl)ethenyl]aniline
CID 53440979
(5E)-1,6-bis(2-nitrophenyl)hexa-1,5-diene-3,4-dione
CID 5382706
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl)methanimine?
The IUPAC name of (2-nitrophenyl)methanimine (CID 19760322) is (2-nitrophenyl)methanimine.
What is the SMILES notation for (2-nitrophenyl)methanimine?
The canonical SMILES for (2-nitrophenyl)methanimine is [H]/N=C/c1ccccc1[N+](=O)[O-].
What is the InChIKey of (2-nitrophenyl)methanimine?
The InChIKey is HMPLEXRVSNXHBA-VMPITWQZSA-N. The full InChI is InChI=1S/C7H6N2O2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-5,8H/b8-5+.
What are the key properties of (2-nitrophenyl)methanimine?
(2-nitrophenyl)methanimine has a molecular weight of 150.14 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl)methanimine is sourced from PubChem (CID 19760322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).