3-chloro-2-(difluoromethyl)-5-(3,4,4-trifluoropiperidin-1-yl)pyrazine

C10H9ClF5N3 — CID 178073216

IUPAC3-chloro-2-(difluoromethyl)-5-(3,4,4-trifluoropiperidin-1-yl)pyrazine
SMILESFC(F)c1ncc(N2CCC(F)(F)C(F)C2)nc1Cl
InChIInChI=1S/C10H9ClF5N3/c11-8-7(9(13)14)17-3-6(18-8)19-2-1-10(15,16)5(12)4-19/h3,5,9H,1-2,4H2
InChIKeyALVCXAGFOJAMKK-UHFFFAOYSA-N
MW301.65 g/mol
LogP3.25
Rot. Bonds2

About 3-chloro-2-(difluoromethyl)-5-(3,4,4-trifluoropiperidin-1-yl)pyrazine

3-chloro-2-(difluoromethyl)-5-(3,4,4-trifluoropiperidin-1-yl)pyrazine (PubChem CID 178073216) has the molecular formula C10H9ClF5N3 and a molecular weight of 301.65 g/mol. Its IUPAC name is 3-chloro-2-(difluoromethyl)-5-(3,4,4-trifluoropiperidin-1-yl)pyrazine.

Molecular Properties

Compound Name3-chloro-2-(difluoromethyl)-5-(3,4,4-trifluoropiperidin-1-yl)pyrazine
PubChem CID178073216
Molecular FormulaC10H9ClF5N3
Molecular Weight301.65 g/mol
Exact Mass301.04
IUPAC Name3-chloro-2-(difluoromethyl)-5-(3,4,4-trifluoropiperidin-1-yl)pyrazine
SMILESFC(F)c1ncc(N2CCC(F)(F)C(F)C2)nc1Cl
InChIInChI=1S/C10H9ClF5N3/c11-8-7(9(13)14)17-3-6(18-8)19-2-1-10(15,16)5(12)4-19/h3,5,9H,1-2,4H2
InChIKeyALVCXAGFOJAMKK-UHFFFAOYSA-N
XLogP3.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.65
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-6-azaspiro[2.5]octane-8-carbonitrile
CID 178072931
1-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-4,4-difluoropiperidin-2-one
CID 178072932
[6-(8,8-difluoro-6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazin-2-yl]methanol
CID 178073006
4,5-dichloro-2-(4,4-difluoro-3-methylpiperidin-1-yl)pyrimidine
CID 146171975
4,5-dichloro-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]pyrimidine
CID 146171974
1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol
CID 177317936
6-chloro-2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)quinoxaline
CID 172893506
3-chloro-5-[(5R)-3,3-difluoro-5-methoxypiperidin-1-yl]pyrazin-2-amine
CID 167974869
2-quinoxalin-2-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81097650
2-[[6-(6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane
CID 178072673
4-[5-(1,1-difluoroethyl)-6-(difluoromethyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane
CID 178072897
(3R,4R)-1-(5,6-dimethylpyrazin-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 72918274

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(difluoromethyl)-5-(3,4,4-trifluoropiperidin-1-yl)pyrazine?
The IUPAC name of 3-chloro-2-(difluoromethyl)-5-(3,4,4-trifluoropiperidin-1-yl)pyrazine (CID 178073216) is 3-chloro-2-(difluoromethyl)-5-(3,4,4-trifluoropiperidin-1-yl)pyrazine.
What is the SMILES notation for 3-chloro-2-(difluoromethyl)-5-(3,4,4-trifluoropiperidin-1-yl)pyrazine?
The canonical SMILES for 3-chloro-2-(difluoromethyl)-5-(3,4,4-trifluoropiperidin-1-yl)pyrazine is FC(F)c1ncc(N2CCC(F)(F)C(F)C2)nc1Cl.
What is the InChIKey of 3-chloro-2-(difluoromethyl)-5-(3,4,4-trifluoropiperidin-1-yl)pyrazine?
The InChIKey is ALVCXAGFOJAMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF5N3/c11-8-7(9(13)14)17-3-6(18-8)19-2-1-10(15,16)5(12)4-19/h3,5,9H,1-2,4H2.
What are the key properties of 3-chloro-2-(difluoromethyl)-5-(3,4,4-trifluoropiperidin-1-yl)pyrazine?
3-chloro-2-(difluoromethyl)-5-(3,4,4-trifluoropiperidin-1-yl)pyrazine has a molecular weight of 301.65 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(difluoromethyl)-5-(3,4,4-trifluoropiperidin-1-yl)pyrazine is sourced from PubChem (CID 178073216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).