[1-(5-bromopyrazin-2-yl)-3-methylpyrrolidin-3-yl]methanol

C10H14BrN3O — CID 130763409

IUPAC[1-(5-bromopyrazin-2-yl)-3-methylpyrrolidin-3-yl]methanol
SMILESCC1(CO)CCN(c2cnc(Br)cn2)C1
InChIInChI=1S/C10H14BrN3O/c1-10(7-15)2-3-14(6-10)9-5-12-8(11)4-13-9/h4-5,15H,2-3,6-7H2,1H3
InChIKeyYZHINHGTKNFTGF-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.45
Rot. Bonds2

About [1-(5-bromopyrazin-2-yl)-3-methylpyrrolidin-3-yl]methanol

[1-(5-bromopyrazin-2-yl)-3-methylpyrrolidin-3-yl]methanol (PubChem CID 130763409) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is [1-(5-bromopyrazin-2-yl)-3-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(5-bromopyrazin-2-yl)-3-methylpyrrolidin-3-yl]methanol
PubChem CID130763409
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name[1-(5-bromopyrazin-2-yl)-3-methylpyrrolidin-3-yl]methanol
SMILESCC1(CO)CCN(c2cnc(Br)cn2)C1
InChIInChI=1S/C10H14BrN3O/c1-10(7-15)2-3-14(6-10)9-5-12-8(11)4-13-9/h4-5,15H,2-3,6-7H2,1H3
InChIKeyYZHINHGTKNFTGF-UHFFFAOYSA-N
XLogP1.45
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(5-bromopyrazin-2-yl)-3-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-(5-bromopyrazin-2-yl)-3-methylpyrrolidin-3-yl]methanol (CID 130763409) is [1-(5-bromopyrazin-2-yl)-3-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(5-bromopyrazin-2-yl)-3-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(5-bromopyrazin-2-yl)-3-methylpyrrolidin-3-yl]methanol is CC1(CO)CCN(c2cnc(Br)cn2)C1.
What is the InChIKey of [1-(5-bromopyrazin-2-yl)-3-methylpyrrolidin-3-yl]methanol?
The InChIKey is YZHINHGTKNFTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-10(7-15)2-3-14(6-10)9-5-12-8(11)4-13-9/h4-5,15H,2-3,6-7H2,1H3.
What are the key properties of [1-(5-bromopyrazin-2-yl)-3-methylpyrrolidin-3-yl]methanol?
[1-(5-bromopyrazin-2-yl)-3-methylpyrrolidin-3-yl]methanol has a molecular weight of 272.15 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromopyrazin-2-yl)-3-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 130763409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).