N-[5-bromo-3-(difluoromethyl)-2-pyridinyl]acetamide

C8H7BrF2N2O — CID 91372071

IUPACN-[5-bromo-3-(difluoromethyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ncc(Br)cc1C(F)F
InChIInChI=1S/C8H7BrF2N2O/c1-4(14)13-8-6(7(10)11)2-5(9)3-12-8/h2-3,7H,1H3,(H,12,13,14)
InChIKeyXCGLTKVTAGLUGR-UHFFFAOYSA-N
MW265.06 g/mol
LogP2.74
Rot. Bonds2

About N-[5-bromo-3-(difluoromethyl)-2-pyridinyl]acetamide

N-[5-bromo-3-(difluoromethyl)-2-pyridinyl]acetamide (PubChem CID 91372071) has the molecular formula C8H7BrF2N2O and a molecular weight of 265.06 g/mol. Its IUPAC name is N-[5-bromo-3-(difluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-bromo-3-(difluoromethyl)-2-pyridinyl]acetamide
PubChem CID91372071
Molecular FormulaC8H7BrF2N2O
Molecular Weight265.06 g/mol
Exact Mass263.97
IUPAC NameN-[5-bromo-3-(difluoromethyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ncc(Br)cc1C(F)F
InChIInChI=1S/C8H7BrF2N2O/c1-4(14)13-8-6(7(10)11)2-5(9)3-12-8/h2-3,7H,1H3,(H,12,13,14)
InChIKeyXCGLTKVTAGLUGR-UHFFFAOYSA-N
XLogP2.74
TPSA41.99 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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Acetamido-3-methylpyridine
CID 268295
2-Acetamido-5-bromopyridine
CID 293097
2-Acetylamino-2-(5-bromo-pyridin-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester
CID 540880
(2E)-N-(5-bromopyridin-2-yl)-3-phenylprop-2-enamide
CID 691129
1-(5-Bromopyridin-2-yl)-3-butylurea
CID 2103155
N-(5-bromo-2-pyridinyl)pentanamide
CID 2292858
N-(5-bromopyridin-2-yl)propanamide
CID 774878
2-Amino-5-bromo-3-methylpyridine
CID 137934
2-Amino-3-bromo-5-methylpyridine
CID 519380
N-(4-Methyl-2-pyridyl)acetamide
CID 220485
N-[2,2,2-Trifluoro-1-(4-methyl-pyridin-2-ylamino)-1-trifluoromethyl-ethyl]-isobutyramide
CID 913318
N-(5-bromopyridin-2-yl)pent-4-enamide
CID 2265971

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-3-(difluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[5-bromo-3-(difluoromethyl)-2-pyridinyl]acetamide (CID 91372071) is N-[5-bromo-3-(difluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-bromo-3-(difluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-bromo-3-(difluoromethyl)-2-pyridinyl]acetamide is CC(=O)Nc1ncc(Br)cc1C(F)F.
What is the InChIKey of N-[5-bromo-3-(difluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is XCGLTKVTAGLUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N2O/c1-4(14)13-8-6(7(10)11)2-5(9)3-12-8/h2-3,7H,1H3,(H,12,13,14).
What are the key properties of N-[5-bromo-3-(difluoromethyl)-2-pyridinyl]acetamide?
N-[5-bromo-3-(difluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 265.06 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-3-(difluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 91372071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).