4-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-2-one

C7H6BrF2NO2 — CID 118811677

IUPAC4-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-2-one
SMILESCOc1c(Br)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C7H6BrF2NO2/c1-13-5-4(8)3(6(9)10)2-11-7(5)12/h2,6H,1H3,(H,11,12)
InChIKeyAPNMLJMPZWUIMU-UHFFFAOYSA-N
MW254.03 g/mol
LogP2.08
Rot. Bonds2

About 4-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-2-one

4-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-2-one (PubChem CID 118811677) has the molecular formula C7H6BrF2NO2 and a molecular weight of 254.03 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-2-one
PubChem CID118811677
Molecular FormulaC7H6BrF2NO2
Molecular Weight254.03 g/mol
Exact Mass252.95
IUPAC Name4-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-2-one
SMILESCOc1c(Br)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C7H6BrF2NO2/c1-13-5-4(8)3(6(9)10)2-11-7(5)12/h2,6H,1H3,(H,11,12)
InChIKeyAPNMLJMPZWUIMU-UHFFFAOYSA-N
XLogP2.08
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.03
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-2-one?
The IUPAC name of 4-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-2-one (CID 118811677) is 4-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-2-one?
The canonical SMILES for 4-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-2-one is COc1c(Br)c(C(F)F)c[nH]c1=O.
What is the InChIKey of 4-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-2-one?
The InChIKey is APNMLJMPZWUIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO2/c1-13-5-4(8)3(6(9)10)2-11-7(5)12/h2,6H,1H3,(H,11,12).
What are the key properties of 4-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-2-one?
4-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-2-one has a molecular weight of 254.03 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 118811677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).