3-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-2-one

C12H8BrF2NO — CID 114760822

IUPAC3-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-2-one
SMILESO=c1c(Br)cccn1Cc1cccc(F)c1F
InChIInChI=1S/C12H8BrF2NO/c13-9-4-2-6-16(12(9)17)7-8-3-1-5-10(14)11(8)15/h1-6H,7H2
InChIKeyZGONHTDCPZIICU-UHFFFAOYSA-N
MW300.10 g/mol
LogP2.94
Rot. Bonds2

About 3-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-2-one

3-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-2-one (PubChem CID 114760822) has the molecular formula C12H8BrF2NO and a molecular weight of 300.10 g/mol. Its IUPAC name is 3-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-2-one
PubChem CID114760822
Molecular FormulaC12H8BrF2NO
Molecular Weight300.10 g/mol
Exact Mass298.98
IUPAC Name3-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-2-one
SMILESO=c1c(Br)cccn1Cc1cccc(F)c1F
InChIInChI=1S/C12H8BrF2NO/c13-9-4-2-6-16(12(9)17)7-8-3-1-5-10(14)11(8)15/h1-6H,7H2
InChIKeyZGONHTDCPZIICU-UHFFFAOYSA-N
XLogP2.94
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 244078
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CID 901046
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CID 150681
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CID 3457221
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CID 2764874
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CID 739288
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CID 152280
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CID 16127479
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CID 21947447
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-2-one (CID 114760822) is 3-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-2-one is O=c1c(Br)cccn1Cc1cccc(F)c1F.
What is the InChIKey of 3-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-2-one?
The InChIKey is ZGONHTDCPZIICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO/c13-9-4-2-6-16(12(9)17)7-8-3-1-5-10(14)11(8)15/h1-6H,7H2.
What are the key properties of 3-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-2-one?
3-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-2-one has a molecular weight of 300.10 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 114760822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).