N-[5-bromo-1-(difluoromethyl)-2-pyridinylidene]acetamide

C8H7BrF2N2O — CID 59216511

IUPACN-[5-bromo-1-(difluoromethyl)-2-pyridinylidene]acetamide
SMILESCC(=O)/N=c1\ccc(Br)cn1C(F)F
InChIInChI=1S/C8H7BrF2N2O/c1-5(14)12-7-3-2-6(9)4-13(7)8(10)11/h2-4,8H,1H3/b12-7+
InChIKeyQRRNRTUDZYJRIK-KPKJPENVSA-N
MW265.06 g/mol
LogP2.09
Rot. Bonds1

About N-[5-bromo-1-(difluoromethyl)-2-pyridinylidene]acetamide

N-[5-bromo-1-(difluoromethyl)-2-pyridinylidene]acetamide (PubChem CID 59216511) has the molecular formula C8H7BrF2N2O and a molecular weight of 265.06 g/mol. Its IUPAC name is N-[5-bromo-1-(difluoromethyl)-2-pyridinylidene]acetamide.

Molecular Properties

Compound NameN-[5-bromo-1-(difluoromethyl)-2-pyridinylidene]acetamide
PubChem CID59216511
Molecular FormulaC8H7BrF2N2O
Molecular Weight265.06 g/mol
Exact Mass263.97
IUPAC NameN-[5-bromo-1-(difluoromethyl)-2-pyridinylidene]acetamide
SMILESCC(=O)/N=c1\ccc(Br)cn1C(F)F
InChIInChI=1S/C8H7BrF2N2O/c1-5(14)12-7-3-2-6(9)4-13(7)8(10)11/h2-4,8H,1H3/b12-7+
InChIKeyQRRNRTUDZYJRIK-KPKJPENVSA-N
XLogP2.09
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.06
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-1-(difluoromethyl)-2-pyridinylidene]acetamide?
The IUPAC name of N-[5-bromo-1-(difluoromethyl)-2-pyridinylidene]acetamide (CID 59216511) is N-[5-bromo-1-(difluoromethyl)-2-pyridinylidene]acetamide.
What is the SMILES notation for N-[5-bromo-1-(difluoromethyl)-2-pyridinylidene]acetamide?
The canonical SMILES for N-[5-bromo-1-(difluoromethyl)-2-pyridinylidene]acetamide is CC(=O)/N=c1\ccc(Br)cn1C(F)F.
What is the InChIKey of N-[5-bromo-1-(difluoromethyl)-2-pyridinylidene]acetamide?
The InChIKey is QRRNRTUDZYJRIK-KPKJPENVSA-N. The full InChI is InChI=1S/C8H7BrF2N2O/c1-5(14)12-7-3-2-6(9)4-13(7)8(10)11/h2-4,8H,1H3/b12-7+.
What are the key properties of N-[5-bromo-1-(difluoromethyl)-2-pyridinylidene]acetamide?
N-[5-bromo-1-(difluoromethyl)-2-pyridinylidene]acetamide has a molecular weight of 265.06 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-1-(difluoromethyl)-2-pyridinylidene]acetamide is sourced from PubChem (CID 59216511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).