2-(5-bromo-4-methyl-2-pyridinyl)-2,2-difluoroacetamide

C8H7BrF2N2O — CID 130136087

IUPAC2-(5-bromo-4-methyl-2-pyridinyl)-2,2-difluoroacetamide
SMILESCc1cc(C(F)(F)C(N)=O)ncc1Br
InChIInChI=1S/C8H7BrF2N2O/c1-4-2-6(13-3-5(4)9)8(10,11)7(12)14/h2-3H,1H3,(H2,12,14)
InChIKeyZPBBGJYBBXIBDQ-UHFFFAOYSA-N
MW265.06 g/mol
LogP1.73
Rot. Bonds2

About 2-(5-bromo-4-methyl-2-pyridinyl)-2,2-difluoroacetamide

2-(5-bromo-4-methyl-2-pyridinyl)-2,2-difluoroacetamide (PubChem CID 130136087) has the molecular formula C8H7BrF2N2O and a molecular weight of 265.06 g/mol. Its IUPAC name is 2-(5-bromo-4-methyl-2-pyridinyl)-2,2-difluoroacetamide.

Molecular Properties

Compound Name2-(5-bromo-4-methyl-2-pyridinyl)-2,2-difluoroacetamide
PubChem CID130136087
Molecular FormulaC8H7BrF2N2O
Molecular Weight265.06 g/mol
Exact Mass263.97
IUPAC Name2-(5-bromo-4-methyl-2-pyridinyl)-2,2-difluoroacetamide
SMILESCc1cc(C(F)(F)C(N)=O)ncc1Br
InChIInChI=1S/C8H7BrF2N2O/c1-4-2-6(13-3-5(4)9)8(10,11)7(12)14/h2-3H,1H3,(H2,12,14)
InChIKeyZPBBGJYBBXIBDQ-UHFFFAOYSA-N
XLogP1.73
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.06
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-methyl-2-pyridinyl)-2,2-difluoroacetamide?
The IUPAC name of 2-(5-bromo-4-methyl-2-pyridinyl)-2,2-difluoroacetamide (CID 130136087) is 2-(5-bromo-4-methyl-2-pyridinyl)-2,2-difluoroacetamide.
What is the SMILES notation for 2-(5-bromo-4-methyl-2-pyridinyl)-2,2-difluoroacetamide?
The canonical SMILES for 2-(5-bromo-4-methyl-2-pyridinyl)-2,2-difluoroacetamide is Cc1cc(C(F)(F)C(N)=O)ncc1Br.
What is the InChIKey of 2-(5-bromo-4-methyl-2-pyridinyl)-2,2-difluoroacetamide?
The InChIKey is ZPBBGJYBBXIBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N2O/c1-4-2-6(13-3-5(4)9)8(10,11)7(12)14/h2-3H,1H3,(H2,12,14).
What are the key properties of 2-(5-bromo-4-methyl-2-pyridinyl)-2,2-difluoroacetamide?
2-(5-bromo-4-methyl-2-pyridinyl)-2,2-difluoroacetamide has a molecular weight of 265.06 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-methyl-2-pyridinyl)-2,2-difluoroacetamide is sourced from PubChem (CID 130136087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).