3,5-dibromo-4-(difluoromethyl)-1H-pyridin-2-one

C6H3Br2F2NO — CID 91200929

IUPAC3,5-dibromo-4-(difluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)c(C(F)F)c1Br
InChIInChI=1S/C6H3Br2F2NO/c7-2-1-11-6(12)4(8)3(2)5(9)10/h1,5H,(H,11,12)
InChIKeyWPJKJJMQKIIOBK-UHFFFAOYSA-N
MW302.90 g/mol
LogP2.84
Rot. Bonds1

About 3,5-dibromo-4-(difluoromethyl)-1H-pyridin-2-one

3,5-dibromo-4-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 91200929) has the molecular formula C6H3Br2F2NO and a molecular weight of 302.90 g/mol. Its IUPAC name is 3,5-dibromo-4-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-dibromo-4-(difluoromethyl)-1H-pyridin-2-one
PubChem CID91200929
Molecular FormulaC6H3Br2F2NO
Molecular Weight302.90 g/mol
Exact Mass300.85
IUPAC Name3,5-dibromo-4-(difluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)c(C(F)F)c1Br
InChIInChI=1S/C6H3Br2F2NO/c7-2-1-11-6(12)4(8)3(2)5(9)10/h1,5H,(H,11,12)
InChIKeyWPJKJJMQKIIOBK-UHFFFAOYSA-N
XLogP2.84
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.90
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3,5-dibromo-4-(difluoromethyl)-1H-pyridin-2-one (CID 91200929) is 3,5-dibromo-4-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3,5-dibromo-4-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3,5-dibromo-4-(difluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(Br)c(C(F)F)c1Br.
What is the InChIKey of 3,5-dibromo-4-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is WPJKJJMQKIIOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2F2NO/c7-2-1-11-6(12)4(8)3(2)5(9)10/h1,5H,(H,11,12).
What are the key properties of 3,5-dibromo-4-(difluoromethyl)-1H-pyridin-2-one?
3,5-dibromo-4-(difluoromethyl)-1H-pyridin-2-one has a molecular weight of 302.90 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 91200929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).