2-chloro-6-[(1S)-1-(3-fluorophenyl)ethoxy]pyrazine

C12H10ClFN2O — CID 86315795

IUPAC2-chloro-6-[(1S)-1-(3-fluorophenyl)ethoxy]pyrazine
SMILESC[C@H](Oc1cncc(Cl)n1)c1cccc(F)c1
InChIInChI=1S/C12H10ClFN2O/c1-8(9-3-2-4-10(14)5-9)17-12-7-15-6-11(13)16-12/h2-8H,1H3/t8-/m0/s1
InChIKeyAEKVMDSKMIBDKH-QMMMGPOBSA-N
MW252.68 g/mol
LogP3.41
Rot. Bonds3

About 2-chloro-6-[(1S)-1-(3-fluorophenyl)ethoxy]pyrazine

2-chloro-6-[(1S)-1-(3-fluorophenyl)ethoxy]pyrazine (PubChem CID 86315795) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 2-chloro-6-[(1S)-1-(3-fluorophenyl)ethoxy]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[(1S)-1-(3-fluorophenyl)ethoxy]pyrazine
PubChem CID86315795
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name2-chloro-6-[(1S)-1-(3-fluorophenyl)ethoxy]pyrazine
SMILESC[C@H](Oc1cncc(Cl)n1)c1cccc(F)c1
InChIInChI=1S/C12H10ClFN2O/c1-8(9-3-2-4-10(14)5-9)17-12-7-15-6-11(13)16-12/h2-8H,1H3/t8-/m0/s1
InChIKeyAEKVMDSKMIBDKH-QMMMGPOBSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine
CID 58869935
6-[1-(3-fluorophenyl)ethoxy]-1H-indole
CID 175599029
1-(3-fluorophenyl)ethyl carbamate
CID 174605012
N-[(2R)-3,3-dimethylbutan-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide
CID 58368162
5-[1-(3-fluorophenyl)ethoxy]quinazoline-2,4-diamine
CID 11529516
4-chloro-2-methyl-6-(1-phenylethoxy)pyrimidine
CID 62483949
[(3-fluorophenyl)-trimethylsilylmethyl]-trimethylsilane
CID 23235532
6-chloro-N-(3-fluorophenyl)-N-methylpyrazine-2-carboxamide
CID 114035325
2-chloro-6-(1-ethoxypropan-2-yloxy)pyrazine
CID 103488018
5-chloro-4-N-[1-(3-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 114285843
6-[1-(3-fluorophenoxy)ethyl]-N,N-dimethylpyridin-2-amine
CID 70872801
3-[1-(2-chloro-4-fluorophenoxy)ethyl]aniline
CID 61263144

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(1S)-1-(3-fluorophenyl)ethoxy]pyrazine?
The IUPAC name of 2-chloro-6-[(1S)-1-(3-fluorophenyl)ethoxy]pyrazine (CID 86315795) is 2-chloro-6-[(1S)-1-(3-fluorophenyl)ethoxy]pyrazine.
What is the SMILES notation for 2-chloro-6-[(1S)-1-(3-fluorophenyl)ethoxy]pyrazine?
The canonical SMILES for 2-chloro-6-[(1S)-1-(3-fluorophenyl)ethoxy]pyrazine is C[C@H](Oc1cncc(Cl)n1)c1cccc(F)c1.
What is the InChIKey of 2-chloro-6-[(1S)-1-(3-fluorophenyl)ethoxy]pyrazine?
The InChIKey is AEKVMDSKMIBDKH-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-8(9-3-2-4-10(14)5-9)17-12-7-15-6-11(13)16-12/h2-8H,1H3/t8-/m0/s1.
What are the key properties of 2-chloro-6-[(1S)-1-(3-fluorophenyl)ethoxy]pyrazine?
2-chloro-6-[(1S)-1-(3-fluorophenyl)ethoxy]pyrazine has a molecular weight of 252.68 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(1S)-1-(3-fluorophenyl)ethoxy]pyrazine is sourced from PubChem (CID 86315795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).