6-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-6-azaspiro[2.5]octane-8-carbonitrile

C13H13ClF2N4 — CID 178072931

IUPAC6-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-6-azaspiro[2.5]octane-8-carbonitrile
SMILESN#CC1CN(c2cnc(C(F)F)c(Cl)n2)CCC12CC2
InChIInChI=1S/C13H13ClF2N4/c14-11-10(12(15)16)18-6-9(19-11)20-4-3-13(1-2-13)8(5-17)7-20/h6,8,12H,1-4,7H2
InChIKeySTFVBRNXBHMQPZ-UHFFFAOYSA-N
MW298.72 g/mol
LogP3.20
Rot. Bonds2

About 6-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-6-azaspiro[2.5]octane-8-carbonitrile

6-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-6-azaspiro[2.5]octane-8-carbonitrile (PubChem CID 178072931) has the molecular formula C13H13ClF2N4 and a molecular weight of 298.72 g/mol. Its IUPAC name is 6-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-6-azaspiro[2.5]octane-8-carbonitrile.

Molecular Properties

Compound Name6-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-6-azaspiro[2.5]octane-8-carbonitrile
PubChem CID178072931
Molecular FormulaC13H13ClF2N4
Molecular Weight298.72 g/mol
Exact Mass298.08
IUPAC Name6-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-6-azaspiro[2.5]octane-8-carbonitrile
SMILESN#CC1CN(c2cnc(C(F)F)c(Cl)n2)CCC12CC2
InChIInChI=1S/C13H13ClF2N4/c14-11-10(12(15)16)18-6-9(19-11)20-4-3-13(1-2-13)8(5-17)7-20/h6,8,12H,1-4,7H2
InChIKeySTFVBRNXBHMQPZ-UHFFFAOYSA-N
XLogP3.20
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-(difluoromethyl)-5-(3,4,4-trifluoropiperidin-1-yl)pyrazine
CID 178073216
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
N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]acetamide
CID 118146345
1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-3-methylurea
CID 144857934
6-(6-azaspiro[2.5]octan-6-yl)-3-iodopyrazine-2-carbonitrile
CID 178073234
3-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,1-dimethylurea
CID 118115329
3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 118114798
1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 118114934
1-(2,6-dimethylphenyl)-4,4-dimethylpiperidine-3-carbonitrile
CID 117025421
N-[[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]methyl]acetamide
CID 123632688
6-[(5S)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]pyrazine-2-carbonitrile
CID 129347416

Frequently Asked Questions

What is the IUPAC name of 6-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-6-azaspiro[2.5]octane-8-carbonitrile?
The IUPAC name of 6-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-6-azaspiro[2.5]octane-8-carbonitrile (CID 178072931) is 6-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-6-azaspiro[2.5]octane-8-carbonitrile.
What is the SMILES notation for 6-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-6-azaspiro[2.5]octane-8-carbonitrile?
The canonical SMILES for 6-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-6-azaspiro[2.5]octane-8-carbonitrile is N#CC1CN(c2cnc(C(F)F)c(Cl)n2)CCC12CC2.
What is the InChIKey of 6-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-6-azaspiro[2.5]octane-8-carbonitrile?
The InChIKey is STFVBRNXBHMQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2N4/c14-11-10(12(15)16)18-6-9(19-11)20-4-3-13(1-2-13)8(5-17)7-20/h6,8,12H,1-4,7H2.
What are the key properties of 6-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-6-azaspiro[2.5]octane-8-carbonitrile?
6-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-6-azaspiro[2.5]octane-8-carbonitrile has a molecular weight of 298.72 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-6-azaspiro[2.5]octane-8-carbonitrile is sourced from PubChem (CID 178072931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).