5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide

C8H7BrF2N2O — CID 79080153

IUPAC5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide
SMILESO=C(NCC(F)F)c1ccc(Br)cn1
InChIInChI=1S/C8H7BrF2N2O/c9-5-1-2-6(12-3-5)8(14)13-4-7(10)11/h1-3,7H,4H2,(H,13,14)
InChIKeySWFIVSSARXMJFF-UHFFFAOYSA-N
MW265.06 g/mol
LogP1.84
Rot. Bonds3

About 5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide

5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide (PubChem CID 79080153) has the molecular formula C8H7BrF2N2O and a molecular weight of 265.06 g/mol. Its IUPAC name is 5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide
PubChem CID79080153
Molecular FormulaC8H7BrF2N2O
Molecular Weight265.06 g/mol
Exact Mass263.97
IUPAC Name5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide
SMILESO=C(NCC(F)F)c1ccc(Br)cn1
InChIInChI=1S/C8H7BrF2N2O/c9-5-1-2-6(12-3-5)8(14)13-4-7(10)11/h1-3,7H,4H2,(H,13,14)
InChIKeySWFIVSSARXMJFF-UHFFFAOYSA-N
XLogP1.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.06
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(2S)-2,3-dihydroxypropyl]pyridine-2-carboxamide
CID 124510748
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CID 64596698
5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide
CID 55210499
N-(2-aminobutyl)-5-bromopyridine-2-carboxamide
CID 63731150
5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide
CID 115759469
5-bromo-N-(2-hydroxypentyl)pyridine-2-carboxamide
CID 115700916
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide
CID 119526197
5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide
CID 114309929
(E)-3-[6-(2,2-difluoroethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 115408483
4-bromo-N-(2,2-difluoroethyl)benzamide
CID 79079579
3-[(5-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427045
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide (CID 79080153) is 5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide is O=C(NCC(F)F)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide?
The InChIKey is SWFIVSSARXMJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N2O/c9-5-1-2-6(12-3-5)8(14)13-4-7(10)11/h1-3,7H,4H2,(H,13,14).
What are the key properties of 5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide?
5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide has a molecular weight of 265.06 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 79080153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).