2-fluoro-1-methylimidazole-4,5-dicarbonitrile

C6H3FN4 — CID 10773133

IUPAC2-fluoro-1-methylimidazole-4,5-dicarbonitrile
SMILESCn1c(F)nc(C#N)c1C#N
InChIInChI=1S/C6H3FN4/c1-11-5(3-9)4(2-8)10-6(11)7/h1H3
InChIKeyLCXLAUOBTOUXFR-UHFFFAOYSA-N
MW150.12 g/mol
LogP0.30
Rot. Bonds

About 2-fluoro-1-methylimidazole-4,5-dicarbonitrile

2-fluoro-1-methylimidazole-4,5-dicarbonitrile (PubChem CID 10773133) has the molecular formula C6H3FN4 and a molecular weight of 150.12 g/mol. Its IUPAC name is 2-fluoro-1-methylimidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-fluoro-1-methylimidazole-4,5-dicarbonitrile
PubChem CID10773133
Molecular FormulaC6H3FN4
Molecular Weight150.12 g/mol
Exact Mass150.03
IUPAC Name2-fluoro-1-methylimidazole-4,5-dicarbonitrile
SMILESCn1c(F)nc(C#N)c1C#N
InChIInChI=1S/C6H3FN4/c1-11-5(3-9)4(2-8)10-6(11)7/h1H3
InChIKeyLCXLAUOBTOUXFR-UHFFFAOYSA-N
XLogP0.30
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-methyl-1H-imidazole-4-carbonitrile
CID 11051635
1-Methyl-1H-imidazole-4,5-dicarbonitrile
CID 583268
4-amino-1-methyl-1H-imidazole-5-carbonitrile
CID 407624
1-Ethyl-1H-imidazole-4,5-dicarbonitrile
CID 15721926
(Z)-N'-(5-cyano-1-methyl-1H-imidazol-4-yl)-N,N-dimethylmethanimidamide
CID 10352234
2-(Difluoromethyl)-1-methylimidazole-4,5-dicarbonitrile
CID 138985010
N-(5-cyano-1-methyl-1H-imidazol-4-yl)-N-methylcyanamide
CID 146682601
1-Methyl-5-(trifluoromethyl)imidazole-4-carbonitrile
CID 164686208
2-Bromo-1-methyl-1H-imidazole-4,5-dicarbonitrile
CID 2779149
2-(dimethylamino)-1H-imidazole-4,5-dicarbonitrile
CID 19016773
1-(2,2,2-Trifluoroethyl)-1H-imidazole-4,5-dicarbonitrile
CID 11367647
3-(2,2-Difluoroethyl)-5-methylimidazole-4-carbonitrile
CID 58752973

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methylimidazole-4,5-dicarbonitrile?
The IUPAC name of 2-fluoro-1-methylimidazole-4,5-dicarbonitrile (CID 10773133) is 2-fluoro-1-methylimidazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-fluoro-1-methylimidazole-4,5-dicarbonitrile?
The canonical SMILES for 2-fluoro-1-methylimidazole-4,5-dicarbonitrile is Cn1c(F)nc(C#N)c1C#N.
What is the InChIKey of 2-fluoro-1-methylimidazole-4,5-dicarbonitrile?
The InChIKey is LCXLAUOBTOUXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FN4/c1-11-5(3-9)4(2-8)10-6(11)7/h1H3.
What are the key properties of 2-fluoro-1-methylimidazole-4,5-dicarbonitrile?
2-fluoro-1-methylimidazole-4,5-dicarbonitrile has a molecular weight of 150.12 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methylimidazole-4,5-dicarbonitrile is sourced from PubChem (CID 10773133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).