3-bromo-1-(cyclopropylmethyl)-4-hydroxy-6-methylpyridin-2-one

C10H12BrNO2 — CID 54724190

IUPAC3-bromo-1-(cyclopropylmethyl)-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)c(Br)c(=O)n1CC1CC1
InChIInChI=1S/C10H12BrNO2/c1-6-4-8(13)9(11)10(14)12(6)5-7-2-3-7/h4,7,13H,2-3,5H2,1H3
InChIKeyJVGCBIVUPPWRJU-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.03
Rot. Bonds2

About 3-bromo-1-(cyclopropylmethyl)-4-hydroxy-6-methylpyridin-2-one

3-bromo-1-(cyclopropylmethyl)-4-hydroxy-6-methylpyridin-2-one (PubChem CID 54724190) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 3-bromo-1-(cyclopropylmethyl)-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(cyclopropylmethyl)-4-hydroxy-6-methylpyridin-2-one
PubChem CID54724190
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name3-bromo-1-(cyclopropylmethyl)-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)c(Br)c(=O)n1CC1CC1
InChIInChI=1S/C10H12BrNO2/c1-6-4-8(13)9(11)10(14)12(6)5-7-2-3-7/h4,7,13H,2-3,5H2,1H3
InChIKeyJVGCBIVUPPWRJU-UHFFFAOYSA-N
XLogP2.03
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(cyclopropylmethyl)-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 3-bromo-1-(cyclopropylmethyl)-4-hydroxy-6-methylpyridin-2-one (CID 54724190) is 3-bromo-1-(cyclopropylmethyl)-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 3-bromo-1-(cyclopropylmethyl)-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 3-bromo-1-(cyclopropylmethyl)-4-hydroxy-6-methylpyridin-2-one is Cc1cc(O)c(Br)c(=O)n1CC1CC1.
What is the InChIKey of 3-bromo-1-(cyclopropylmethyl)-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is JVGCBIVUPPWRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-6-4-8(13)9(11)10(14)12(6)5-7-2-3-7/h4,7,13H,2-3,5H2,1H3.
What are the key properties of 3-bromo-1-(cyclopropylmethyl)-4-hydroxy-6-methylpyridin-2-one?
3-bromo-1-(cyclopropylmethyl)-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 258.11 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(cyclopropylmethyl)-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 54724190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).