3-bromo-1-(cyclopropylmethoxymethyl)pyridin-2-one

C10H12BrNO2 — CID 106930418

IUPAC3-bromo-1-(cyclopropylmethoxymethyl)pyridin-2-one
SMILESO=c1c(Br)cccn1COCC1CC1
InChIInChI=1S/C10H12BrNO2/c11-9-2-1-5-12(10(9)13)7-14-6-8-3-4-8/h1-2,5,8H,3-4,6-7H2
InChIKeyBZNYTMOPVPGXCV-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.99
Rot. Bonds4

About 3-bromo-1-(cyclopropylmethoxymethyl)pyridin-2-one

3-bromo-1-(cyclopropylmethoxymethyl)pyridin-2-one (PubChem CID 106930418) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 3-bromo-1-(cyclopropylmethoxymethyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(cyclopropylmethoxymethyl)pyridin-2-one
PubChem CID106930418
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name3-bromo-1-(cyclopropylmethoxymethyl)pyridin-2-one
SMILESO=c1c(Br)cccn1COCC1CC1
InChIInChI=1S/C10H12BrNO2/c11-9-2-1-5-12(10(9)13)7-14-6-8-3-4-8/h1-2,5,8H,3-4,6-7H2
InChIKeyBZNYTMOPVPGXCV-UHFFFAOYSA-N
XLogP1.99
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethoxymethyl)-3-methylpyridin-2-one
CID 106931100
3-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one
CID 106705717
1-[1-(cyclopropylmethoxymethyl)pyrrol-2-yl]-N-methylmethanamine
CID 106930149
3-bromo-1-(iodomethyl)pyridin-2-one
CID 172778363
1-(cyclopropylmethoxymethyl)-3-methylimidazol-2-one
CID 106931115
5-amino-1-(cyclopropylmethoxymethyl)pyrimidine-2,4-dione
CID 106929489
3-bromo-1-(2-phenylethyl)pyridin-2-one
CID 114761280
3-bromo-1-[3-(cyclopropylamino)-2-hydroxypropyl]pyridin-2-one
CID 114760444
3-bromo-1-[2-(1,3-dioxan-2-yl)ethyl]pyridin-2-one
CID 114760663
3-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyridin-2-one
CID 114761550
3-(3-bromo-2-oxo-1-pyridinyl)propanoic acid
CID 82146616
1-(cyclopropylmethoxymethyl)benzimidazole
CID 90028770

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(cyclopropylmethoxymethyl)pyridin-2-one?
The IUPAC name of 3-bromo-1-(cyclopropylmethoxymethyl)pyridin-2-one (CID 106930418) is 3-bromo-1-(cyclopropylmethoxymethyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-1-(cyclopropylmethoxymethyl)pyridin-2-one?
The canonical SMILES for 3-bromo-1-(cyclopropylmethoxymethyl)pyridin-2-one is O=c1c(Br)cccn1COCC1CC1.
What is the InChIKey of 3-bromo-1-(cyclopropylmethoxymethyl)pyridin-2-one?
The InChIKey is BZNYTMOPVPGXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-9-2-1-5-12(10(9)13)7-14-6-8-3-4-8/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 3-bromo-1-(cyclopropylmethoxymethyl)pyridin-2-one?
3-bromo-1-(cyclopropylmethoxymethyl)pyridin-2-one has a molecular weight of 258.11 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(cyclopropylmethoxymethyl)pyridin-2-one is sourced from PubChem (CID 106930418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).