2-bromo-N-[1-(2,6-difluorophenyl)ethyl]pyridine-4-carboxamide

C14H11BrF2N2O — CID 103754324

IUPAC2-bromo-N-[1-(2,6-difluorophenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(Br)c1)c1c(F)cccc1F
InChIInChI=1S/C14H11BrF2N2O/c1-8(13-10(16)3-2-4-11(13)17)19-14(20)9-5-6-18-12(15)7-9/h2-8H,1H3,(H,19,20)
InChIKeyVJAWJASACHWHDS-UHFFFAOYSA-N
MW341.16 g/mol
LogP3.61
Rot. Bonds3

About 2-bromo-N-[1-(2,6-difluorophenyl)ethyl]pyridine-4-carboxamide

2-bromo-N-[1-(2,6-difluorophenyl)ethyl]pyridine-4-carboxamide (PubChem CID 103754324) has the molecular formula C14H11BrF2N2O and a molecular weight of 341.16 g/mol. Its IUPAC name is 2-bromo-N-[1-(2,6-difluorophenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[1-(2,6-difluorophenyl)ethyl]pyridine-4-carboxamide
PubChem CID103754324
Molecular FormulaC14H11BrF2N2O
Molecular Weight341.16 g/mol
Exact Mass340.00
IUPAC Name2-bromo-N-[1-(2,6-difluorophenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(Br)c1)c1c(F)cccc1F
InChIInChI=1S/C14H11BrF2N2O/c1-8(13-10(16)3-2-4-11(13)17)19-14(20)9-5-6-18-12(15)7-9/h2-8H,1H3,(H,19,20)
InChIKeyVJAWJASACHWHDS-UHFFFAOYSA-N
XLogP3.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[1-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 113255496
3-bromo-N-[1-(2,6-difluorophenyl)ethyl]-4-methylbenzamide
CID 81457778
2-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 103754299
2-bromo-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 103753873
2-bromo-N-butan-2-ylpyridine-4-carboxamide
CID 103751691
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromopyridine-4-carboxamide
CID 103752003
2-bromo-N-pentan-3-ylpyridine-4-carboxamide
CID 103751828
2-bromo-N-(4-bromo-2,6-difluorophenyl)pyridine-4-carboxamide
CID 103759038
5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbenzamide
CID 65306853
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055
(2R)-2-[(2-bromopyridine-4-carbonyl)amino]butanoic acid
CID 103804471
2-bromo-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 103772020

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2,6-difluorophenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[1-(2,6-difluorophenyl)ethyl]pyridine-4-carboxamide (CID 103754324) is 2-bromo-N-[1-(2,6-difluorophenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[1-(2,6-difluorophenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[1-(2,6-difluorophenyl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1ccnc(Br)c1)c1c(F)cccc1F.
What is the InChIKey of 2-bromo-N-[1-(2,6-difluorophenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is VJAWJASACHWHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O/c1-8(13-10(16)3-2-4-11(13)17)19-14(20)9-5-6-18-12(15)7-9/h2-8H,1H3,(H,19,20).
What are the key properties of 2-bromo-N-[1-(2,6-difluorophenyl)ethyl]pyridine-4-carboxamide?
2-bromo-N-[1-(2,6-difluorophenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 341.16 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2,6-difluorophenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 103754324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).