N'-(2-cyano-5-fluoro-4-nitrophenyl)-N,N-dimethylmethanimidamide

C10H9FN4O2 — CID 118900243

IUPACN'-(2-cyano-5-fluoro-4-nitrophenyl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1cc(F)c([N+](=O)[O-])cc1C#N
InChIInChI=1S/C10H9FN4O2/c1-14(2)6-13-9-4-8(11)10(15(16)17)3-7(9)5-12/h3-4,6H,1-2H3/b13-6+
InChIKeyUVGATYIHNOCTPO-AWNIVKPZSA-N
MW236.21 g/mol
LogP1.83
Rot. Bonds3

About N'-(2-cyano-5-fluoro-4-nitrophenyl)-N,N-dimethylmethanimidamide

N'-(2-cyano-5-fluoro-4-nitrophenyl)-N,N-dimethylmethanimidamide (PubChem CID 118900243) has the molecular formula C10H9FN4O2 and a molecular weight of 236.21 g/mol. Its IUPAC name is N'-(2-cyano-5-fluoro-4-nitrophenyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(2-cyano-5-fluoro-4-nitrophenyl)-N,N-dimethylmethanimidamide
PubChem CID118900243
Molecular FormulaC10H9FN4O2
Molecular Weight236.21 g/mol
Exact Mass236.07
IUPAC NameN'-(2-cyano-5-fluoro-4-nitrophenyl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1cc(F)c([N+](=O)[O-])cc1C#N
InChIInChI=1S/C10H9FN4O2/c1-14(2)6-13-9-4-8(11)10(15(16)17)3-7(9)5-12/h3-4,6H,1-2H3/b13-6+
InChIKeyUVGATYIHNOCTPO-AWNIVKPZSA-N
XLogP1.83
TPSA82.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-fluoro-4-methyl-5-nitrobenzonitrile
CID 59089198
N'-(2-cyano-4-methylphenyl)-N,N-dimethylmethanimidamide
CID 11446788
5-fluoro-2-methoxy-4-nitrobenzonitrile
CID 166638353
N'-(2-cyano-4-nitrobenzene-3-id-1-yl)-N,N-dimethylmethanimidamide;yttrium
CID 169028844
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
methyl 2-cyano-4-fluoro-5-nitrobenzoate
CID 134647263
2-fluoro-4-methyl-6-nitrobenzonitrile
CID 130981867
1,4-difluoro-2-isothiocyanato-5-nitrobenzene
CID 22748331
2,4-diformyl-5-nitrobenzonitrile
CID 170996405
4-chloro-2-methyl-3,5-dinitrobenzonitrile
CID 20563860
(E)-3-(2,5-difluoro-4-nitrophenyl)prop-2-enenitrile
CID 142393352
2,4-dihydroxy-5-nitrobenzonitrile
CID 112719946

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyano-5-fluoro-4-nitrophenyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(2-cyano-5-fluoro-4-nitrophenyl)-N,N-dimethylmethanimidamide (CID 118900243) is N'-(2-cyano-5-fluoro-4-nitrophenyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(2-cyano-5-fluoro-4-nitrophenyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(2-cyano-5-fluoro-4-nitrophenyl)-N,N-dimethylmethanimidamide is CN(C)/C=N/c1cc(F)c([N+](=O)[O-])cc1C#N.
What is the InChIKey of N'-(2-cyano-5-fluoro-4-nitrophenyl)-N,N-dimethylmethanimidamide?
The InChIKey is UVGATYIHNOCTPO-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H9FN4O2/c1-14(2)6-13-9-4-8(11)10(15(16)17)3-7(9)5-12/h3-4,6H,1-2H3/b13-6+.
What are the key properties of N'-(2-cyano-5-fluoro-4-nitrophenyl)-N,N-dimethylmethanimidamide?
N'-(2-cyano-5-fluoro-4-nitrophenyl)-N,N-dimethylmethanimidamide has a molecular weight of 236.21 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyano-5-fluoro-4-nitrophenyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 118900243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).