N-(3,5-dibromo-2-methyl-4-pyridinyl)-2,2-difluoroacetamide

C8H6Br2F2N2O — CID 126841498

IUPACN-(3,5-dibromo-2-methyl-4-pyridinyl)-2,2-difluoroacetamide
SMILESCc1ncc(Br)c(NC(=O)C(F)F)c1Br
InChIInChI=1S/C8H6Br2F2N2O/c1-3-5(10)6(4(9)2-13-3)14-8(15)7(11)12/h2,7H,1H3,(H,13,14,15)
InChIKeyXWNUTPIIDPZLPM-UHFFFAOYSA-N
MW343.95 g/mol
LogP3.12
Rot. Bonds2

About N-(3,5-dibromo-2-methyl-4-pyridinyl)-2,2-difluoroacetamide

N-(3,5-dibromo-2-methyl-4-pyridinyl)-2,2-difluoroacetamide (PubChem CID 126841498) has the molecular formula C8H6Br2F2N2O and a molecular weight of 343.95 g/mol. Its IUPAC name is N-(3,5-dibromo-2-methyl-4-pyridinyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(3,5-dibromo-2-methyl-4-pyridinyl)-2,2-difluoroacetamide
PubChem CID126841498
Molecular FormulaC8H6Br2F2N2O
Molecular Weight343.95 g/mol
Exact Mass341.88
IUPAC NameN-(3,5-dibromo-2-methyl-4-pyridinyl)-2,2-difluoroacetamide
SMILESCc1ncc(Br)c(NC(=O)C(F)F)c1Br
InChIInChI=1S/C8H6Br2F2N2O/c1-3-5(10)6(4(9)2-13-3)14-8(15)7(11)12/h2,7H,1H3,(H,13,14,15)
InChIKeyXWNUTPIIDPZLPM-UHFFFAOYSA-N
XLogP3.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.95
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-4-(difluoromethyl)-2-methylpyridine
CID 130098940
5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride
CID 130069553
2-[5-bromo-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid
CID 130069504
N-(5-bromopyrazin-2-yl)-2,2-difluoroacetamide
CID 103513843
4-bromo-5-(difluoromethyl)-6-methylpyridine-3-carboxamide
CID 118844639
5-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine
CID 130109403
ethyl 5-bromo-3-(difluoromethyl)-2-methylpyridine-4-carboxylate
CID 134685203
2,2-difluoro-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 107646145
N-(2-bromo-3-fluoro-4-pyridinyl)-2,2-difluoroacetamide
CID 166548142
3-bromo-4-(difluoromethyl)-2-methyl-5-nitropyridine
CID 130069118
4,5-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 118800112
3-bromo-5-(difluoromethyl)-2-methylpyridine-4-carbonitrile
CID 130108704

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromo-2-methyl-4-pyridinyl)-2,2-difluoroacetamide?
The IUPAC name of N-(3,5-dibromo-2-methyl-4-pyridinyl)-2,2-difluoroacetamide (CID 126841498) is N-(3,5-dibromo-2-methyl-4-pyridinyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(3,5-dibromo-2-methyl-4-pyridinyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(3,5-dibromo-2-methyl-4-pyridinyl)-2,2-difluoroacetamide is Cc1ncc(Br)c(NC(=O)C(F)F)c1Br.
What is the InChIKey of N-(3,5-dibromo-2-methyl-4-pyridinyl)-2,2-difluoroacetamide?
The InChIKey is XWNUTPIIDPZLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2F2N2O/c1-3-5(10)6(4(9)2-13-3)14-8(15)7(11)12/h2,7H,1H3,(H,13,14,15).
What are the key properties of N-(3,5-dibromo-2-methyl-4-pyridinyl)-2,2-difluoroacetamide?
N-(3,5-dibromo-2-methyl-4-pyridinyl)-2,2-difluoroacetamide has a molecular weight of 343.95 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromo-2-methyl-4-pyridinyl)-2,2-difluoroacetamide is sourced from PubChem (CID 126841498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).