(3-fluoro-5-nitrophenyl)methanimine

C7H5FN2O2 — CID 139270560

IUPAC(3-fluoro-5-nitrophenyl)methanimine
SMILES[H]/N=C/c1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C7H5FN2O2/c8-6-1-5(4-9)2-7(3-6)10(11)12/h1-4,9H/b9-4+
InChIKeyBZEGSUUOWUQZPQ-RUDMXATFSA-N
MW168.13 g/mol
LogP1.73
Rot. Bonds2

About (3-fluoro-5-nitrophenyl)methanimine

(3-fluoro-5-nitrophenyl)methanimine (PubChem CID 139270560) has the molecular formula C7H5FN2O2 and a molecular weight of 168.13 g/mol. Its IUPAC name is (3-fluoro-5-nitrophenyl)methanimine.

Molecular Properties

Compound Name(3-fluoro-5-nitrophenyl)methanimine
PubChem CID139270560
Molecular FormulaC7H5FN2O2
Molecular Weight168.13 g/mol
Exact Mass168.03
IUPAC Name(3-fluoro-5-nitrophenyl)methanimine
SMILES[H]/N=C/c1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C7H5FN2O2/c8-6-1-5(4-9)2-7(3-6)10(11)12/h1-4,9H/b9-4+
InChIKeyBZEGSUUOWUQZPQ-RUDMXATFSA-N
XLogP1.73
TPSA66.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 51.73
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

1-(chloromethyl)-3-fluoro-5-nitrobenzene
CID 56924386
methane;5-methanimidoyl-2-nitrobenzene-1,3-dicarboxylic acid
CID 174410606
ethyl 3-(3-fluoro-5-nitrophenyl)prop-2-enoate
CID 169480658
3-bromo-2-methanimidoyl-5-nitroaniline
CID 142352146
2-methanimidoyl-4-nitrophenolate
CID 6993247
1-(3,5-dimethoxyphenoxy)-3-fluoro-5-nitrobenzene
CID 80752219
1-(3,5-dichlorophenyl)-3-fluoro-5-nitrobenzene
CID 134623777
dichlorotin;methane;methyl (E)-3-(3-amino-5-fluorophenyl)prop-2-enoate;methyl (E)-3-(3-fluoro-5-nitrophenyl)prop-2-enoate
CID 158619347
1-bromo-3-fluoro-5-nitrobenzene;methyl (E)-3-(3-fluoro-5-nitrophenyl)prop-2-enoate;methyl prop-2-enoate
CID 159284489
1-fluoro-3-nitro-5-(2,2,2-trifluoroethoxy)benzene
CID 80753207
ethane;2-methanimidoyl-4-nitroaniline
CID 168895735
3-fluoro-5-nitro-N-pent-3-ynylaniline
CID 116644538

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-nitrophenyl)methanimine?
The IUPAC name of (3-fluoro-5-nitrophenyl)methanimine (CID 139270560) is (3-fluoro-5-nitrophenyl)methanimine.
What is the SMILES notation for (3-fluoro-5-nitrophenyl)methanimine?
The canonical SMILES for (3-fluoro-5-nitrophenyl)methanimine is [H]/N=C/c1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of (3-fluoro-5-nitrophenyl)methanimine?
The InChIKey is BZEGSUUOWUQZPQ-RUDMXATFSA-N. The full InChI is InChI=1S/C7H5FN2O2/c8-6-1-5(4-9)2-7(3-6)10(11)12/h1-4,9H/b9-4+.
What are the key properties of (3-fluoro-5-nitrophenyl)methanimine?
(3-fluoro-5-nitrophenyl)methanimine has a molecular weight of 168.13 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-nitrophenyl)methanimine is sourced from PubChem (CID 139270560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).