(3-chloropyrazin-2-yl)-cycloundecylmethanol

C16H25ClN2O — CID 122662826

IUPAC(3-chloropyrazin-2-yl)-cycloundecylmethanol
SMILESOC(c1nccnc1Cl)C1CCCCCCCCCC1
InChIInChI=1S/C16H25ClN2O/c17-16-14(18-11-12-19-16)15(20)13-9-7-5-3-1-2-4-6-8-10-13/h11-13,15,20H,1-10H2
InChIKeyXNIORLIFGHKKHR-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.69
Rot. Bonds2

About (3-chloropyrazin-2-yl)-cycloundecylmethanol

(3-chloropyrazin-2-yl)-cycloundecylmethanol (PubChem CID 122662826) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is (3-chloropyrazin-2-yl)-cycloundecylmethanol.

Molecular Properties

Compound Name(3-chloropyrazin-2-yl)-cycloundecylmethanol
PubChem CID122662826
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name(3-chloropyrazin-2-yl)-cycloundecylmethanol
SMILESOC(c1nccnc1Cl)C1CCCCCCCCCC1
InChIInChI=1S/C16H25ClN2O/c17-16-14(18-11-12-19-16)15(20)13-9-7-5-3-1-2-4-6-8-10-13/h11-13,15,20H,1-10H2
InChIKeyXNIORLIFGHKKHR-UHFFFAOYSA-N
XLogP4.69
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chloropyrazin-2-yl)-cycloundecylmethanol?
The IUPAC name of (3-chloropyrazin-2-yl)-cycloundecylmethanol (CID 122662826) is (3-chloropyrazin-2-yl)-cycloundecylmethanol.
What is the SMILES notation for (3-chloropyrazin-2-yl)-cycloundecylmethanol?
The canonical SMILES for (3-chloropyrazin-2-yl)-cycloundecylmethanol is OC(c1nccnc1Cl)C1CCCCCCCCCC1.
What is the InChIKey of (3-chloropyrazin-2-yl)-cycloundecylmethanol?
The InChIKey is XNIORLIFGHKKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c17-16-14(18-11-12-19-16)15(20)13-9-7-5-3-1-2-4-6-8-10-13/h11-13,15,20H,1-10H2.
What are the key properties of (3-chloropyrazin-2-yl)-cycloundecylmethanol?
(3-chloropyrazin-2-yl)-cycloundecylmethanol has a molecular weight of 296.84 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropyrazin-2-yl)-cycloundecylmethanol is sourced from PubChem (CID 122662826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).