2-[(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine

C15H15ClFN3 — CID 124955216

IUPAC2-[(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
SMILESFc1ccc(CN2CCC[C@H]2c2cnccn2)c(Cl)c1
InChIInChI=1S/C15H15ClFN3/c16-13-8-12(17)4-3-11(13)10-20-7-1-2-15(20)14-9-18-5-6-19-14/h3-6,8-9,15H,1-2,7,10H2/t15-/m0/s1
InChIKeyFIEVYVIGIOSXSF-HNNXBMFYSA-N
MW291.76 g/mol
LogP3.61
Rot. Bonds3

About 2-[(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine

2-[(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine (PubChem CID 124955216) has the molecular formula C15H15ClFN3 and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-[(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine.

Molecular Properties

Compound Name2-[(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
PubChem CID124955216
Molecular FormulaC15H15ClFN3
Molecular Weight291.76 g/mol
Exact Mass291.09
IUPAC Name2-[(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
SMILESFc1ccc(CN2CCC[C@H]2c2cnccn2)c(Cl)c1
InChIInChI=1S/C15H15ClFN3/c16-13-8-12(17)4-3-11(13)10-20-7-1-2-15(20)14-9-18-5-6-19-14/h3-6,8-9,15H,1-2,7,10H2/t15-/m0/s1
InChIKeyFIEVYVIGIOSXSF-HNNXBMFYSA-N
XLogP3.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 124941847
2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 110103097
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 73440222
2-[(2S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]pyrazine
CID 124971747
4-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 124946594
2-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 124961471
5-methyl-3-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]-1,2-oxazole
CID 124975748
2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-6-methylpyrazine
CID 110114099
3-[(2-pyrazin-2-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 110103100
4-[(2S)-1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 124953340
1-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]cyclohexan-1-ol
CID 124999609
N-[6-[(2S)-1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 95835693

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine?
The IUPAC name of 2-[(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine (CID 124955216) is 2-[(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine.
What is the SMILES notation for 2-[(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine?
The canonical SMILES for 2-[(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine is Fc1ccc(CN2CCC[C@H]2c2cnccn2)c(Cl)c1.
What is the InChIKey of 2-[(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine?
The InChIKey is FIEVYVIGIOSXSF-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H15ClFN3/c16-13-8-12(17)4-3-11(13)10-20-7-1-2-15(20)14-9-18-5-6-19-14/h3-6,8-9,15H,1-2,7,10H2/t15-/m0/s1.
What are the key properties of 2-[(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine?
2-[(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine has a molecular weight of 291.76 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine is sourced from PubChem (CID 124955216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).