3-amino-4-bromo-1-(cyclopropylmethyl)pyridin-2-one

C9H11BrN2O — CID 70292655

IUPAC3-amino-4-bromo-1-(cyclopropylmethyl)pyridin-2-one
SMILESNc1c(Br)ccn(CC2CC2)c1=O
InChIInChI=1S/C9H11BrN2O/c10-7-3-4-12(5-6-1-2-6)9(13)8(7)11/h3-4,6H,1-2,5,11H2
InChIKeyVOEFSALZEHSRQI-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.60
Rot. Bonds2

About 3-amino-4-bromo-1-(cyclopropylmethyl)pyridin-2-one

3-amino-4-bromo-1-(cyclopropylmethyl)pyridin-2-one (PubChem CID 70292655) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 3-amino-4-bromo-1-(cyclopropylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-4-bromo-1-(cyclopropylmethyl)pyridin-2-one
PubChem CID70292655
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name3-amino-4-bromo-1-(cyclopropylmethyl)pyridin-2-one
SMILESNc1c(Br)ccn(CC2CC2)c1=O
InChIInChI=1S/C9H11BrN2O/c10-7-3-4-12(5-6-1-2-6)9(13)8(7)11/h3-4,6H,1-2,5,11H2
InChIKeyVOEFSALZEHSRQI-UHFFFAOYSA-N
XLogP1.60
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-1-(cyclopropylmethyl)pyridin-2-one?
The IUPAC name of 3-amino-4-bromo-1-(cyclopropylmethyl)pyridin-2-one (CID 70292655) is 3-amino-4-bromo-1-(cyclopropylmethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-4-bromo-1-(cyclopropylmethyl)pyridin-2-one?
The canonical SMILES for 3-amino-4-bromo-1-(cyclopropylmethyl)pyridin-2-one is Nc1c(Br)ccn(CC2CC2)c1=O.
What is the InChIKey of 3-amino-4-bromo-1-(cyclopropylmethyl)pyridin-2-one?
The InChIKey is VOEFSALZEHSRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c10-7-3-4-12(5-6-1-2-6)9(13)8(7)11/h3-4,6H,1-2,5,11H2.
What are the key properties of 3-amino-4-bromo-1-(cyclopropylmethyl)pyridin-2-one?
3-amino-4-bromo-1-(cyclopropylmethyl)pyridin-2-one has a molecular weight of 243.10 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-1-(cyclopropylmethyl)pyridin-2-one is sourced from PubChem (CID 70292655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).