1-(5-bromopyrazin-2-yl)cyclohexan-1-ol

C10H13BrN2O — CID 155936713

IUPAC1-(5-bromopyrazin-2-yl)cyclohexan-1-ol
SMILESOC1(c2cnc(Br)cn2)CCCCC1
InChIInChI=1S/C10H13BrN2O/c11-9-7-12-8(6-13-9)10(14)4-2-1-3-5-10/h6-7,14H,1-5H2
InChIKeyOSYOCEAJQRCRCN-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.39
Rot. Bonds1

About 1-(5-bromopyrazin-2-yl)cyclohexan-1-ol

1-(5-bromopyrazin-2-yl)cyclohexan-1-ol (PubChem CID 155936713) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 1-(5-bromopyrazin-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(5-bromopyrazin-2-yl)cyclohexan-1-ol
PubChem CID155936713
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name1-(5-bromopyrazin-2-yl)cyclohexan-1-ol
SMILESOC1(c2cnc(Br)cn2)CCCCC1
InChIInChI=1S/C10H13BrN2O/c11-9-7-12-8(6-13-9)10(14)4-2-1-3-5-10/h6-7,14H,1-5H2
InChIKeyOSYOCEAJQRCRCN-UHFFFAOYSA-N
XLogP2.39
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrazin-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-(5-bromopyrazin-2-yl)cyclohexan-1-ol (CID 155936713) is 1-(5-bromopyrazin-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(5-bromopyrazin-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(5-bromopyrazin-2-yl)cyclohexan-1-ol is OC1(c2cnc(Br)cn2)CCCCC1.
What is the InChIKey of 1-(5-bromopyrazin-2-yl)cyclohexan-1-ol?
The InChIKey is OSYOCEAJQRCRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c11-9-7-12-8(6-13-9)10(14)4-2-1-3-5-10/h6-7,14H,1-5H2.
What are the key properties of 1-(5-bromopyrazin-2-yl)cyclohexan-1-ol?
1-(5-bromopyrazin-2-yl)cyclohexan-1-ol has a molecular weight of 257.13 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrazin-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 155936713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).