1-(3,5-difluoro-2-nitrophenyl)imidazole-2-carbonitrile

C10H4F2N4O2 — CID 115509936

IUPAC1-(3,5-difluoro-2-nitrophenyl)imidazole-2-carbonitrile
SMILESN#Cc1nccn1-c1cc(F)cc(F)c1[N+](=O)[O-]
InChIInChI=1S/C10H4F2N4O2/c11-6-3-7(12)10(16(17)18)8(4-6)15-2-1-14-9(15)5-13/h1-4H
InChIKeyUIXOHEVQRSMPRK-UHFFFAOYSA-N
MW250.16 g/mol
LogP1.93
Rot. Bonds2

About 1-(3,5-difluoro-2-nitrophenyl)imidazole-2-carbonitrile

1-(3,5-difluoro-2-nitrophenyl)imidazole-2-carbonitrile (PubChem CID 115509936) has the molecular formula C10H4F2N4O2 and a molecular weight of 250.16 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-nitrophenyl)imidazole-2-carbonitrile.

Molecular Properties

Compound Name1-(3,5-difluoro-2-nitrophenyl)imidazole-2-carbonitrile
PubChem CID115509936
Molecular FormulaC10H4F2N4O2
Molecular Weight250.16 g/mol
Exact Mass250.03
IUPAC Name1-(3,5-difluoro-2-nitrophenyl)imidazole-2-carbonitrile
SMILESN#Cc1nccn1-c1cc(F)cc(F)c1[N+](=O)[O-]
InChIInChI=1S/C10H4F2N4O2/c11-6-3-7(12)10(16(17)18)8(4-6)15-2-1-14-9(15)5-13/h1-4H
InChIKeyUIXOHEVQRSMPRK-UHFFFAOYSA-N
XLogP1.93
TPSA84.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-4-fluoro-2-nitrophenyl)imidazole-2-carbonitrile
CID 116739747
1-(3-chloro-5-nitro-2-pyridinyl)imidazole-2-carbonitrile
CID 114046960
1-(4-fluorophenyl)imidazole-2-carbonitrile
CID 84660888
1-(3,5-difluoro-2-nitrophenyl)pyrrolidine-3,4-diol
CID 106673290
1-(3,5-difluoro-2-nitrophenyl)pyrazole-3-carboxylic acid
CID 115509879
1-(3,5-difluoro-2-nitrophenyl)pyrrolidin-3-ol
CID 113325746
1-(3-chlorophenyl)imidazole-2-carbonitrile
CID 84671921
5-(3,5-difluoro-2-nitrophenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 115509777
1-(3-fluoro-5-methoxy-2-nitrophenyl)-1,2,4-triazole-3-carbonitrile
CID 133426465
2,4-difluoro-6-nitrobenzonitrile
CID 119017167
1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carbonitrile
CID 106748221
5-bromo-3-fluoro-2-nitrobenzonitrile
CID 131028788

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2-nitrophenyl)imidazole-2-carbonitrile?
The IUPAC name of 1-(3,5-difluoro-2-nitrophenyl)imidazole-2-carbonitrile (CID 115509936) is 1-(3,5-difluoro-2-nitrophenyl)imidazole-2-carbonitrile.
What is the SMILES notation for 1-(3,5-difluoro-2-nitrophenyl)imidazole-2-carbonitrile?
The canonical SMILES for 1-(3,5-difluoro-2-nitrophenyl)imidazole-2-carbonitrile is N#Cc1nccn1-c1cc(F)cc(F)c1[N+](=O)[O-].
What is the InChIKey of 1-(3,5-difluoro-2-nitrophenyl)imidazole-2-carbonitrile?
The InChIKey is UIXOHEVQRSMPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F2N4O2/c11-6-3-7(12)10(16(17)18)8(4-6)15-2-1-14-9(15)5-13/h1-4H.
What are the key properties of 1-(3,5-difluoro-2-nitrophenyl)imidazole-2-carbonitrile?
1-(3,5-difluoro-2-nitrophenyl)imidazole-2-carbonitrile has a molecular weight of 250.16 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-2-nitrophenyl)imidazole-2-carbonitrile is sourced from PubChem (CID 115509936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).