2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylpyrazine

C14H14ClFN2O — CID 178142394

IUPAC2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylpyrazine
SMILESCCCc1cnc(OCc2c(F)cccc2Cl)cn1
InChIInChI=1S/C14H14ClFN2O/c1-2-4-10-7-18-14(8-17-10)19-9-11-12(15)5-3-6-13(11)16/h3,5-8H,2,4,9H2,1H3
InChIKeyPHSHPNFLZAFYOH-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.80
Rot. Bonds5

About 2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylpyrazine

2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylpyrazine (PubChem CID 178142394) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylpyrazine.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylpyrazine
PubChem CID178142394
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylpyrazine
SMILESCCCc1cnc(OCc2c(F)cccc2Cl)cn1
InChIInChI=1S/C14H14ClFN2O/c1-2-4-10-7-18-14(8-17-10)19-9-11-12(15)5-3-6-13(11)16/h3,5-8H,2,4,9H2,1H3
InChIKeyPHSHPNFLZAFYOH-UHFFFAOYSA-N
XLogP3.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-5-[(2-chloro-6-fluorophenyl)methoxy]pyrazine
CID 178142066
3-[(2-chloro-6-fluorophenyl)methoxy]pyridazine
CID 134102120
1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]butan-2-amine
CID 79790836
2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylphenol
CID 178141171
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
CID 112607809
3-[(2-chloro-6-fluorophenyl)methoxy]-1-sulfanylpyrazole
CID 155217935
5-[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-2-propylphenol;ethane
CID 178141535
3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene
CID 112813104
1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
CID 60627894
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanol
CID 112612622
1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene
CID 112613291
ethane;2-methoxy-5-propylpyrazine
CID 145191148

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylpyrazine?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylpyrazine (CID 178142394) is 2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylpyrazine.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylpyrazine?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylpyrazine is CCCc1cnc(OCc2c(F)cccc2Cl)cn1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylpyrazine?
The InChIKey is PHSHPNFLZAFYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-2-4-10-7-18-14(8-17-10)19-9-11-12(15)5-3-6-13(11)16/h3,5-8H,2,4,9H2,1H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylpyrazine?
2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylpyrazine has a molecular weight of 280.73 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylpyrazine is sourced from PubChem (CID 178142394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).