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

C7H6BrF2NO2 — CID 130110070

IUPAC3-bromo-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
SMILESCOc1c(C(F)F)c[nH]c(=O)c1Br
InChIInChI=1S/C7H6BrF2NO2/c1-13-5-3(6(9)10)2-11-7(12)4(5)8/h2,6H,1H3,(H,11,12)
InChIKeyNWVDAHCKVSNJAY-UHFFFAOYSA-N
MW254.03 g/mol
LogP2.08
Rot. Bonds2

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

3-bromo-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one (PubChem CID 130110070) has the molecular formula C7H6BrF2NO2 and a molecular weight of 254.03 g/mol. Its IUPAC name is 3-bromo-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
PubChem CID130110070
Molecular FormulaC7H6BrF2NO2
Molecular Weight254.03 g/mol
Exact Mass252.95
IUPAC Name3-bromo-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
SMILESCOc1c(C(F)F)c[nH]c(=O)c1Br
InChIInChI=1S/C7H6BrF2NO2/c1-13-5-3(6(9)10)2-11-7(12)4(5)8/h2,6H,1H3,(H,11,12)
InChIKeyNWVDAHCKVSNJAY-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 3-bromo-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one?
The IUPAC name of 3-bromo-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one (CID 130110070) is 3-bromo-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one is COc1c(C(F)F)c[nH]c(=O)c1Br.
What is the InChIKey of 3-bromo-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one?
The InChIKey is NWVDAHCKVSNJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO2/c1-13-5-3(6(9)10)2-11-7(12)4(5)8/h2,6H,1H3,(H,11,12).
What are the key properties of 3-bromo-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one?
3-bromo-5-(difluoromethyl)-4-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 3-bromo-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 130110070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).