4-bromo-1-cyclopropylpyridin-2-one

C8H8BrNO — CID 59635647

IUPAC4-bromo-1-cyclopropylpyridin-2-one
SMILESO=c1cc(Br)ccn1C1CC1
InChIInChI=1S/C8H8BrNO/c9-6-3-4-10(7-1-2-7)8(11)5-6/h3-5,7H,1-2H2
InChIKeyUHJGCHDQKZZFTN-UHFFFAOYSA-N
MW214.06 g/mol
LogP1.95
Rot. Bonds1

About 4-bromo-1-cyclopropylpyridin-2-one

4-bromo-1-cyclopropylpyridin-2-one (PubChem CID 59635647) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is 4-bromo-1-cyclopropylpyridin-2-one.

Molecular Properties

Compound Name4-bromo-1-cyclopropylpyridin-2-one
PubChem CID59635647
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC Name4-bromo-1-cyclopropylpyridin-2-one
SMILESO=c1cc(Br)ccn1C1CC1
InChIInChI=1S/C8H8BrNO/c9-6-3-4-10(7-1-2-7)8(11)5-6/h3-5,7H,1-2H2
InChIKeyUHJGCHDQKZZFTN-UHFFFAOYSA-N
XLogP1.95
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-1-isopropylpyridin-2(1H)-one
CID 46738820
5-Bromo-1-(cyclopropylmethyl)-1,2-dihydropyridin-2-one
CID 59635701
4-Bromo-1-cyclohexyl-1,2-dihydropyridin-2-one
CID 132353744
1-Cyclopropyl-5-fluoropyridin-2-one
CID 134960128
1-Cyclopropylpyridin-2-one
CID 66584408
5-Bromo-1-(2-fluoro-1-methyl-ethyl)pyridin-2-one
CID 58070322
3-Bromo-1-(1-fluoropropan-2-yl)pyridin-2-one
CID 141330712
3-Bromo-1-(2,2-difluorocyclopropyl)pyridin-2-one
CID 164554851
5-Bromo-1-cyclopropyl-3-fluoropyridin-2(1H)-one
CID 167221006
5-Bromo-1-butan-2-yl-3-fluoropyridin-2-one
CID 175557899
1-[(1S,2R)-2-fluorocyclopropyl]pyridin-2-one
CID 176003181
1-[(1R,2S)-2-fluorocyclopropyl]pyridin-2-one
CID 176003230

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropylpyridin-2-one?
The IUPAC name of 4-bromo-1-cyclopropylpyridin-2-one (CID 59635647) is 4-bromo-1-cyclopropylpyridin-2-one.
What is the SMILES notation for 4-bromo-1-cyclopropylpyridin-2-one?
The canonical SMILES for 4-bromo-1-cyclopropylpyridin-2-one is O=c1cc(Br)ccn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropylpyridin-2-one?
The InChIKey is UHJGCHDQKZZFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c9-6-3-4-10(7-1-2-7)8(11)5-6/h3-5,7H,1-2H2.
What are the key properties of 4-bromo-1-cyclopropylpyridin-2-one?
4-bromo-1-cyclopropylpyridin-2-one has a molecular weight of 214.06 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropylpyridin-2-one is sourced from PubChem (CID 59635647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).