2-(4-fluoro-2-prop-2-ynoxyphenyl)-5-methylpyrazine

C14H11FN2O — CID 178073277

IUPAC2-(4-fluoro-2-prop-2-ynoxyphenyl)-5-methylpyrazine
SMILESC#CCOc1cc(F)ccc1-c1cnc(C)cn1
InChIInChI=1S/C14H11FN2O/c1-3-6-18-14-7-11(15)4-5-12(14)13-9-16-10(2)8-17-13/h1,4-5,7-9H,6H2,2H3
InChIKeyFXZHQGIPFLJLND-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.60
Rot. Bonds3

About 2-(4-fluoro-2-prop-2-ynoxyphenyl)-5-methylpyrazine

2-(4-fluoro-2-prop-2-ynoxyphenyl)-5-methylpyrazine (PubChem CID 178073277) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-(4-fluoro-2-prop-2-ynoxyphenyl)-5-methylpyrazine.

Molecular Properties

Compound Name2-(4-fluoro-2-prop-2-ynoxyphenyl)-5-methylpyrazine
PubChem CID178073277
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name2-(4-fluoro-2-prop-2-ynoxyphenyl)-5-methylpyrazine
SMILESC#CCOc1cc(F)ccc1-c1cnc(C)cn1
InChIInChI=1S/C14H11FN2O/c1-3-6-18-14-7-11(15)4-5-12(14)13-9-16-10(2)8-17-13/h1,4-5,7-9H,6H2,2H3
InChIKeyFXZHQGIPFLJLND-UHFFFAOYSA-N
XLogP2.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-fluoro-2-prop-2-ynoxybenzene
CID 22482803
(1R)-1-(4-fluoro-2-prop-2-ynoxyphenyl)ethanol
CID 63365914
2-(4-fluoro-3-prop-2-ynoxyphenyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 162371345
2-bromo-5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazine
CID 178072988
2-(difluoromethoxy)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine
CID 178073304
2-(1,1-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine
CID 178073480
4-[[5-chloro-2-(5-methylpyrazin-2-yl)phenoxy]methyl]-1,3-oxazole
CID 178072963
ethyl 2-[5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazin-2-yl]acetate
CID 178073337
4-fluoro-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]-2-prop-2-ynoxyaniline
CID 97031637
2-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrazine
CID 178073316
N-(4-fluoro-2-prop-2-ynoxyphenyl)-1,2-dimethylpyrrolidine-3-carboxamide
CID 119049400
(2S,3R)-N-(4-fluoro-2-prop-2-ynoxyphenyl)-1,2-dimethylpyrrolidine-3-carboxamide
CID 124847101

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-prop-2-ynoxyphenyl)-5-methylpyrazine?
The IUPAC name of 2-(4-fluoro-2-prop-2-ynoxyphenyl)-5-methylpyrazine (CID 178073277) is 2-(4-fluoro-2-prop-2-ynoxyphenyl)-5-methylpyrazine.
What is the SMILES notation for 2-(4-fluoro-2-prop-2-ynoxyphenyl)-5-methylpyrazine?
The canonical SMILES for 2-(4-fluoro-2-prop-2-ynoxyphenyl)-5-methylpyrazine is C#CCOc1cc(F)ccc1-c1cnc(C)cn1.
What is the InChIKey of 2-(4-fluoro-2-prop-2-ynoxyphenyl)-5-methylpyrazine?
The InChIKey is FXZHQGIPFLJLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c1-3-6-18-14-7-11(15)4-5-12(14)13-9-16-10(2)8-17-13/h1,4-5,7-9H,6H2,2H3.
What are the key properties of 2-(4-fluoro-2-prop-2-ynoxyphenyl)-5-methylpyrazine?
2-(4-fluoro-2-prop-2-ynoxyphenyl)-5-methylpyrazine has a molecular weight of 242.25 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-prop-2-ynoxyphenyl)-5-methylpyrazine is sourced from PubChem (CID 178073277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).