3-bromo-1-[3-(ethylamino)-2-hydroxypropyl]pyridin-2-one

C10H15BrN2O2 — CID 114760449

IUPAC3-bromo-1-[3-(ethylamino)-2-hydroxypropyl]pyridin-2-one
SMILESCCNCC(O)Cn1cccc(Br)c1=O
InChIInChI=1S/C10H15BrN2O2/c1-2-12-6-8(14)7-13-5-3-4-9(11)10(13)15/h3-5,8,12,14H,2,6-7H2,1H3
InChIKeyFDRSQLKCLCMJLC-UHFFFAOYSA-N
MW275.15 g/mol
LogP0.58
Rot. Bonds5

About 3-bromo-1-[3-(ethylamino)-2-hydroxypropyl]pyridin-2-one

3-bromo-1-[3-(ethylamino)-2-hydroxypropyl]pyridin-2-one (PubChem CID 114760449) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 3-bromo-1-[3-(ethylamino)-2-hydroxypropyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[3-(ethylamino)-2-hydroxypropyl]pyridin-2-one
PubChem CID114760449
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name3-bromo-1-[3-(ethylamino)-2-hydroxypropyl]pyridin-2-one
SMILESCCNCC(O)Cn1cccc(Br)c1=O
InChIInChI=1S/C10H15BrN2O2/c1-2-12-6-8(14)7-13-5-3-4-9(11)10(13)15/h3-5,8,12,14H,2,6-7H2,1H3
InChIKeyFDRSQLKCLCMJLC-UHFFFAOYSA-N
XLogP0.58
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[3-(ethylamino)-2-hydroxypropyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-[3-(ethylamino)-2-hydroxypropyl]pyridin-2-one (CID 114760449) is 3-bromo-1-[3-(ethylamino)-2-hydroxypropyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[3-(ethylamino)-2-hydroxypropyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[3-(ethylamino)-2-hydroxypropyl]pyridin-2-one is CCNCC(O)Cn1cccc(Br)c1=O.
What is the InChIKey of 3-bromo-1-[3-(ethylamino)-2-hydroxypropyl]pyridin-2-one?
The InChIKey is FDRSQLKCLCMJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-2-12-6-8(14)7-13-5-3-4-9(11)10(13)15/h3-5,8,12,14H,2,6-7H2,1H3.
What are the key properties of 3-bromo-1-[3-(ethylamino)-2-hydroxypropyl]pyridin-2-one?
3-bromo-1-[3-(ethylamino)-2-hydroxypropyl]pyridin-2-one has a molecular weight of 275.15 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[3-(ethylamino)-2-hydroxypropyl]pyridin-2-one is sourced from PubChem (CID 114760449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).