[4-(5-bromopyrazin-2-yl)morpholin-2-yl]methanol

C9H12BrN3O2 — CID 130540472

IUPAC[4-(5-bromopyrazin-2-yl)morpholin-2-yl]methanol
SMILESOCC1CN(c2cnc(Br)cn2)CCO1
InChIInChI=1S/C9H12BrN3O2/c10-8-3-12-9(4-11-8)13-1-2-15-7(5-13)6-14/h3-4,7,14H,1-2,5-6H2
InChIKeyHHMDOQUNJILGJU-UHFFFAOYSA-N
MW274.12 g/mol
LogP0.44
Rot. Bonds2

About [4-(5-bromopyrazin-2-yl)morpholin-2-yl]methanol

[4-(5-bromopyrazin-2-yl)morpholin-2-yl]methanol (PubChem CID 130540472) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is [4-(5-bromopyrazin-2-yl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(5-bromopyrazin-2-yl)morpholin-2-yl]methanol
PubChem CID130540472
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name[4-(5-bromopyrazin-2-yl)morpholin-2-yl]methanol
SMILESOCC1CN(c2cnc(Br)cn2)CCO1
InChIInChI=1S/C9H12BrN3O2/c10-8-3-12-9(4-11-8)13-1-2-15-7(5-13)6-14/h3-4,7,14H,1-2,5-6H2
InChIKeyHHMDOQUNJILGJU-UHFFFAOYSA-N
XLogP0.44
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(hydroxymethyl)morpholin-4-yl]pyrazine-2-carbothioamide
CID 81203585
4-bromo-6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid
CID 167856739
[4-(5-methoxy-2-pyridinyl)morpholin-2-yl]methanol
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6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxamide
CID 79839721
2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-ol
CID 170608695
2-[2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-ol
CID 170608983
[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol
CID 105367532
[4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]methanol
CID 115750247
[4-(2,6-diaminopyrimidin-4-yl)morpholin-2-yl]methanol
CID 81217236
5-(2-ethylmorpholin-4-yl)pyrazin-2-amine
CID 80652381
[4-[5-(ethylaminomethyl)-2-pyridinyl]morpholin-2-yl]methanol
CID 81204265
[4-(6-methylsulfanylpyrimidin-4-yl)morpholin-2-yl]methanol
CID 106973462

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromopyrazin-2-yl)morpholin-2-yl]methanol?
The IUPAC name of [4-(5-bromopyrazin-2-yl)morpholin-2-yl]methanol (CID 130540472) is [4-(5-bromopyrazin-2-yl)morpholin-2-yl]methanol.
What is the SMILES notation for [4-(5-bromopyrazin-2-yl)morpholin-2-yl]methanol?
The canonical SMILES for [4-(5-bromopyrazin-2-yl)morpholin-2-yl]methanol is OCC1CN(c2cnc(Br)cn2)CCO1.
What is the InChIKey of [4-(5-bromopyrazin-2-yl)morpholin-2-yl]methanol?
The InChIKey is HHMDOQUNJILGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c10-8-3-12-9(4-11-8)13-1-2-15-7(5-13)6-14/h3-4,7,14H,1-2,5-6H2.
What are the key properties of [4-(5-bromopyrazin-2-yl)morpholin-2-yl]methanol?
[4-(5-bromopyrazin-2-yl)morpholin-2-yl]methanol has a molecular weight of 274.12 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromopyrazin-2-yl)morpholin-2-yl]methanol is sourced from PubChem (CID 130540472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).