2-butyl-5-[(2-chloro-6-fluorophenyl)methoxy]pyrazine

C15H16ClFN2O — CID 178142066

IUPAC2-butyl-5-[(2-chloro-6-fluorophenyl)methoxy]pyrazine
SMILESCCCCc1cnc(OCc2c(F)cccc2Cl)cn1
InChIInChI=1S/C15H16ClFN2O/c1-2-3-5-11-8-19-15(9-18-11)20-10-12-13(16)6-4-7-14(12)17/h4,6-9H,2-3,5,10H2,1H3
InChIKeyLLPSJZSTNODLSH-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.19
Rot. Bonds6

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

2-butyl-5-[(2-chloro-6-fluorophenyl)methoxy]pyrazine (PubChem CID 178142066) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 2-butyl-5-[(2-chloro-6-fluorophenyl)methoxy]pyrazine.

Molecular Properties

Compound Name2-butyl-5-[(2-chloro-6-fluorophenyl)methoxy]pyrazine
PubChem CID178142066
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name2-butyl-5-[(2-chloro-6-fluorophenyl)methoxy]pyrazine
SMILESCCCCc1cnc(OCc2c(F)cccc2Cl)cn1
InChIInChI=1S/C15H16ClFN2O/c1-2-3-5-11-8-19-15(9-18-11)20-10-12-13(16)6-4-7-14(12)17/h4,6-9H,2-3,5,10H2,1H3
InChIKeyLLPSJZSTNODLSH-UHFFFAOYSA-N
XLogP4.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylpyrazine
CID 178142394
3-[(2-chloro-6-fluorophenyl)methoxy]pyridazine
CID 134102120
1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]butan-2-amine
CID 79790836
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
CID 112607809
2-butyl-3-[(2-chloro-6-fluorophenyl)methyl]imidazole-4-carbaldehyde
CID 19936763
1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene
CID 112613291
3-[(2-chloro-6-fluorophenyl)methoxy]-1-sulfanylpyrazole
CID 155217935
3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170865688
3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 170878344
2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylphenol
CID 178141171
3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene
CID 112813104
5-[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-2-propylphenol;ethane
CID 178141535

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-[(2-chloro-6-fluorophenyl)methoxy]pyrazine?
The IUPAC name of 2-butyl-5-[(2-chloro-6-fluorophenyl)methoxy]pyrazine (CID 178142066) is 2-butyl-5-[(2-chloro-6-fluorophenyl)methoxy]pyrazine.
What is the SMILES notation for 2-butyl-5-[(2-chloro-6-fluorophenyl)methoxy]pyrazine?
The canonical SMILES for 2-butyl-5-[(2-chloro-6-fluorophenyl)methoxy]pyrazine is CCCCc1cnc(OCc2c(F)cccc2Cl)cn1.
What is the InChIKey of 2-butyl-5-[(2-chloro-6-fluorophenyl)methoxy]pyrazine?
The InChIKey is LLPSJZSTNODLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-2-3-5-11-8-19-15(9-18-11)20-10-12-13(16)6-4-7-14(12)17/h4,6-9H,2-3,5,10H2,1H3.
What are the key properties of 2-butyl-5-[(2-chloro-6-fluorophenyl)methoxy]pyrazine?
2-butyl-5-[(2-chloro-6-fluorophenyl)methoxy]pyrazine has a molecular weight of 294.76 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-[(2-chloro-6-fluorophenyl)methoxy]pyrazine is sourced from PubChem (CID 178142066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).