3-fluoro-4-(methylamino)benzonitrile

C8H7FN2 — CID 21029569

IUPAC3-fluoro-4-(methylamino)benzonitrile
SMILESCNc1ccc(C#N)cc1F
InChIInChI=1S/C8H7FN2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4,11H,1H3
InChIKeySNOXQSJLHWBCBF-UHFFFAOYSA-N
MW150.16 g/mol
LogP1.74
Rot. Bonds1

About 3-fluoro-4-(methylamino)benzonitrile

3-fluoro-4-(methylamino)benzonitrile (PubChem CID 21029569) has the molecular formula C8H7FN2 and a molecular weight of 150.16 g/mol. Its IUPAC name is 3-fluoro-4-(methylamino)benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-(methylamino)benzonitrile
PubChem CID21029569
Molecular FormulaC8H7FN2
Molecular Weight150.16 g/mol
Exact Mass150.06
IUPAC Name3-fluoro-4-(methylamino)benzonitrile
SMILESCNc1ccc(C#N)cc1F
InChIInChI=1S/C8H7FN2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4,11H,1H3
InChIKeySNOXQSJLHWBCBF-UHFFFAOYSA-N
XLogP1.74
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2-dimethylhydrazinyl)-3-fluorobenzonitrile
CID 83015429
4-ethynyl-2-fluoro-N-methylaniline
CID 55300171
3-fluoro-4-(propan-2-ylamino)benzonitrile
CID 43656980
N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
3-methyl-4-(methylamino)benzonitrile
CID 23343732
N-(4-cyano-2-fluorophenyl)methanesulfinamide
CID 130948795
3-fluoro-4-(3-fluoro-4-methylanilino)benzonitrile
CID 43657209
3-fluoro-4-[(4-methylpiperazin-1-yl)amino]benzonitrile
CID 83016024
2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide
CID 114328975
2-(4-cyano-2-fluoroanilino)propanoic acid
CID 43656940
ethane;3-methoxy-4-(methylamino)benzonitrile
CID 176701430
2-(4-cyano-2-fluoroanilino)propanamide
CID 43657192

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(methylamino)benzonitrile?
The IUPAC name of 3-fluoro-4-(methylamino)benzonitrile (CID 21029569) is 3-fluoro-4-(methylamino)benzonitrile.
What is the SMILES notation for 3-fluoro-4-(methylamino)benzonitrile?
The canonical SMILES for 3-fluoro-4-(methylamino)benzonitrile is CNc1ccc(C#N)cc1F.
What is the InChIKey of 3-fluoro-4-(methylamino)benzonitrile?
The InChIKey is SNOXQSJLHWBCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4,11H,1H3.
What are the key properties of 3-fluoro-4-(methylamino)benzonitrile?
3-fluoro-4-(methylamino)benzonitrile has a molecular weight of 150.16 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(methylamino)benzonitrile is sourced from PubChem (CID 21029569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).