5-(3-fluoro-4-methylphenoxy)pyrazine-2-carbonitrile

C12H8FN3O — CID 99836740

IUPAC5-(3-fluoro-4-methylphenoxy)pyrazine-2-carbonitrile
SMILESCc1ccc(Oc2cnc(C#N)cn2)cc1F
InChIInChI=1S/C12H8FN3O/c1-8-2-3-10(4-11(8)13)17-12-7-15-9(5-14)6-16-12/h2-4,6-7H,1H3
InChIKeyMITBCSVLQXOICZ-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.59
Rot. Bonds2

About 5-(3-fluoro-4-methylphenoxy)pyrazine-2-carbonitrile

5-(3-fluoro-4-methylphenoxy)pyrazine-2-carbonitrile (PubChem CID 99836740) has the molecular formula C12H8FN3O and a molecular weight of 229.21 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylphenoxy)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-fluoro-4-methylphenoxy)pyrazine-2-carbonitrile
PubChem CID99836740
Molecular FormulaC12H8FN3O
Molecular Weight229.21 g/mol
Exact Mass229.07
IUPAC Name5-(3-fluoro-4-methylphenoxy)pyrazine-2-carbonitrile
SMILESCc1ccc(Oc2cnc(C#N)cn2)cc1F
InChIInChI=1S/C12H8FN3O/c1-8-2-3-10(4-11(8)13)17-12-7-15-9(5-14)6-16-12/h2-4,6-7H,1H3
InChIKeyMITBCSVLQXOICZ-UHFFFAOYSA-N
XLogP2.59
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-4-methylphenoxy)-5-methylpyridin-4-amine
CID 107168502
4-(3-fluoro-4-methylphenoxy)benzonitrile
CID 107169205
2-chloro-5-(5-cyanopyrazin-2-yl)oxybenzoic acid
CID 106502939
5-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine-2-carbonitrile
CID 81341848
5-(2-bromo-4-methoxyphenoxy)pyrazine-2-carbonitrile
CID 104707141
2-(3-fluoro-4-methylphenoxy)pyrimidin-5-amine
CID 107168482
5-fluoro-4-methylpyridine-2-carbonitrile
CID 118235335
5-(5-cyanopyrazin-2-yl)oxy-2-nitrobenzoic acid
CID 107077766
6-(4-bromo-3-fluorophenoxy)-4-methylpyridin-3-amine
CID 79176366
5-(4-bromo-2-cyanophenoxy)pyrazine-2-carbonitrile
CID 133491376
4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine
CID 107169142
ethane;2-methoxy-5-methylpyrazine;5-methylpyrazine-2-carbonitrile
CID 142379097

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylphenoxy)pyrazine-2-carbonitrile?
The IUPAC name of 5-(3-fluoro-4-methylphenoxy)pyrazine-2-carbonitrile (CID 99836740) is 5-(3-fluoro-4-methylphenoxy)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(3-fluoro-4-methylphenoxy)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(3-fluoro-4-methylphenoxy)pyrazine-2-carbonitrile is Cc1ccc(Oc2cnc(C#N)cn2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methylphenoxy)pyrazine-2-carbonitrile?
The InChIKey is MITBCSVLQXOICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O/c1-8-2-3-10(4-11(8)13)17-12-7-15-9(5-14)6-16-12/h2-4,6-7H,1H3.
What are the key properties of 5-(3-fluoro-4-methylphenoxy)pyrazine-2-carbonitrile?
5-(3-fluoro-4-methylphenoxy)pyrazine-2-carbonitrile has a molecular weight of 229.21 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylphenoxy)pyrazine-2-carbonitrile is sourced from PubChem (CID 99836740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).