2-chloro-5-[(2-fluoro-5-methylphenoxy)methyl]pyrazine

C12H10ClFN2O — CID 103054875

IUPAC2-chloro-5-[(2-fluoro-5-methylphenoxy)methyl]pyrazine
SMILESCc1ccc(F)c(OCc2cnc(Cl)cn2)c1
InChIInChI=1S/C12H10ClFN2O/c1-8-2-3-10(14)11(4-8)17-7-9-5-16-12(13)6-15-9/h2-6H,7H2,1H3
InChIKeyTXHBFDXLVGJOHD-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.16
Rot. Bonds3

About 2-chloro-5-[(2-fluoro-5-methylphenoxy)methyl]pyrazine

2-chloro-5-[(2-fluoro-5-methylphenoxy)methyl]pyrazine (PubChem CID 103054875) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 2-chloro-5-[(2-fluoro-5-methylphenoxy)methyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[(2-fluoro-5-methylphenoxy)methyl]pyrazine
PubChem CID103054875
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name2-chloro-5-[(2-fluoro-5-methylphenoxy)methyl]pyrazine
SMILESCc1ccc(F)c(OCc2cnc(Cl)cn2)c1
InChIInChI=1S/C12H10ClFN2O/c1-8-2-3-10(14)11(4-8)17-7-9-5-16-12(13)6-15-9/h2-6H,7H2,1H3
InChIKeyTXHBFDXLVGJOHD-UHFFFAOYSA-N
XLogP3.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-tert-butyl-4-methylphenoxy)methyl]-5-chloropyrazine
CID 103054684
2-chloro-5-[(2-fluorophenoxy)methyl]pyrazine
CID 103054699
2-chloro-5-[(2,5-dichlorophenoxy)methyl]pyrazine
CID 103054688
2-chloro-5-[(4-chlorophenoxy)methyl]pyrazine
CID 103054702
2-[(2-fluoro-5-methylphenoxy)methyl]-6-methoxypyridine
CID 64854335
2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene
CID 79173807
2-chloro-5-[(3,5-dichlorophenoxy)methyl]pyrazine
CID 103054815
2-chloro-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrazine
CID 103054885
2-chloro-5-[(2,3-difluoro-4-methylsulfonylphenoxy)methyl]pyrazine
CID 89258439
5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103059015
5-[(2-fluoro-5-methylphenoxy)methyl]-1-methylimidazole
CID 66142376
2-[(2-fluoro-5-methylphenoxy)methyl]-N-propylpyridin-4-amine
CID 79260153

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-fluoro-5-methylphenoxy)methyl]pyrazine?
The IUPAC name of 2-chloro-5-[(2-fluoro-5-methylphenoxy)methyl]pyrazine (CID 103054875) is 2-chloro-5-[(2-fluoro-5-methylphenoxy)methyl]pyrazine.
What is the SMILES notation for 2-chloro-5-[(2-fluoro-5-methylphenoxy)methyl]pyrazine?
The canonical SMILES for 2-chloro-5-[(2-fluoro-5-methylphenoxy)methyl]pyrazine is Cc1ccc(F)c(OCc2cnc(Cl)cn2)c1.
What is the InChIKey of 2-chloro-5-[(2-fluoro-5-methylphenoxy)methyl]pyrazine?
The InChIKey is TXHBFDXLVGJOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-8-2-3-10(14)11(4-8)17-7-9-5-16-12(13)6-15-9/h2-6H,7H2,1H3.
What are the key properties of 2-chloro-5-[(2-fluoro-5-methylphenoxy)methyl]pyrazine?
2-chloro-5-[(2-fluoro-5-methylphenoxy)methyl]pyrazine has a molecular weight of 252.68 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-fluoro-5-methylphenoxy)methyl]pyrazine is sourced from PubChem (CID 103054875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).