4-[6-(dimethylamino)pyrazin-2-yl]-2-fluorobenzonitrile

C13H11FN4 — CID 135293574

IUPAC4-[6-(dimethylamino)pyrazin-2-yl]-2-fluorobenzonitrile
SMILESCN(C)c1cncc(-c2ccc(C#N)c(F)c2)n1
InChIInChI=1S/C13H11FN4/c1-18(2)13-8-16-7-12(17-13)9-3-4-10(6-15)11(14)5-9/h3-5,7-8H,1-2H3
InChIKeyZSTCAYOJKSVFQN-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.22
Rot. Bonds2

About 4-[6-(dimethylamino)pyrazin-2-yl]-2-fluorobenzonitrile

4-[6-(dimethylamino)pyrazin-2-yl]-2-fluorobenzonitrile (PubChem CID 135293574) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 4-[6-(dimethylamino)pyrazin-2-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[6-(dimethylamino)pyrazin-2-yl]-2-fluorobenzonitrile
PubChem CID135293574
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name4-[6-(dimethylamino)pyrazin-2-yl]-2-fluorobenzonitrile
SMILESCN(C)c1cncc(-c2ccc(C#N)c(F)c2)n1
InChIInChI=1S/C13H11FN4/c1-18(2)13-8-16-7-12(17-13)9-3-4-10(6-15)11(14)5-9/h3-5,7-8H,1-2H3
InChIKeyZSTCAYOJKSVFQN-UHFFFAOYSA-N
XLogP2.22
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-chloropyrazin-2-yl)-2-fluorobenzonitrile
CID 135293596
4-[2-chloro-6-(methylamino)pyrimidin-4-yl]-2-fluorobenzonitrile
CID 118142084
6-[4-[1-(dimethylamino)ethyl]phenyl]-N,N-dimethylpyrazin-2-amine
CID 74243404
2-fluoro-4-[5-(hydroxymethyl)-3-pyridinyl]benzonitrile
CID 135293591
6-(dimethylamino)pyrazine-2-carbonitrile
CID 23273459
6-(6-methoxy-3-pyridinyl)-N,N-dimethylpyrazin-2-amine
CID 56720090
4-(5-bromo-2-chloropyrimidin-4-yl)-2-fluorobenzonitrile
CID 118142117
4-[3-[6-(dimethylamino)-3-pyridinyl]-6-(4-ethylpiperidin-1-yl)pyrazin-2-yl]-2-fluorobenzonitrile
CID 146814733
4-(5-decyl-2-pyridinyl)-2-fluorobenzonitrile
CID 19859304
2-fluoro-4-(5-hexyl-2-pyridinyl)benzonitrile
CID 22008072
2-(4-cyano-3-fluorophenyl)-6-iodo-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile
CID 169103121
4-(3,4-dimethoxyphenyl)-2-fluorobenzonitrile
CID 59689087

Frequently Asked Questions

What is the IUPAC name of 4-[6-(dimethylamino)pyrazin-2-yl]-2-fluorobenzonitrile?
The IUPAC name of 4-[6-(dimethylamino)pyrazin-2-yl]-2-fluorobenzonitrile (CID 135293574) is 4-[6-(dimethylamino)pyrazin-2-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[6-(dimethylamino)pyrazin-2-yl]-2-fluorobenzonitrile?
The canonical SMILES for 4-[6-(dimethylamino)pyrazin-2-yl]-2-fluorobenzonitrile is CN(C)c1cncc(-c2ccc(C#N)c(F)c2)n1.
What is the InChIKey of 4-[6-(dimethylamino)pyrazin-2-yl]-2-fluorobenzonitrile?
The InChIKey is ZSTCAYOJKSVFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c1-18(2)13-8-16-7-12(17-13)9-3-4-10(6-15)11(14)5-9/h3-5,7-8H,1-2H3.
What are the key properties of 4-[6-(dimethylamino)pyrazin-2-yl]-2-fluorobenzonitrile?
4-[6-(dimethylamino)pyrazin-2-yl]-2-fluorobenzonitrile has a molecular weight of 242.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(dimethylamino)pyrazin-2-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 135293574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).