5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2-carboxamide

C13H9Br2FN2O — CID 62954591

IUPAC5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cc(F)ccc1Br)c1ccc(Br)cn1
InChIInChI=1S/C13H9Br2FN2O/c14-9-1-4-12(17-7-9)13(19)18-6-8-5-10(16)2-3-11(8)15/h1-5,7H,6H2,(H,18,19)
InChIKeyWPNAFZOUDHUMDN-UHFFFAOYSA-N
MW388.03 g/mol
LogP3.68
Rot. Bonds3

About 5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2-carboxamide

5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 62954591) has the molecular formula C13H9Br2FN2O and a molecular weight of 388.03 g/mol. Its IUPAC name is 5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID62954591
Molecular FormulaC13H9Br2FN2O
Molecular Weight388.03 g/mol
Exact Mass385.91
IUPAC Name5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cc(F)ccc1Br)c1ccc(Br)cn1
InChIInChI=1S/C13H9Br2FN2O/c14-9-1-4-12(17-7-9)13(19)18-6-8-5-10(16)2-3-11(8)15/h1-5,7H,6H2,(H,18,19)
InChIKeyWPNAFZOUDHUMDN-UHFFFAOYSA-N
XLogP3.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.03
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]quinoline-2-carboxamide
CID 60535331
N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoropyridine-3-carboxamide
CID 63978201
5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62953516
5-bromo-N-[(2,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954388
5-bromo-N-(2,5-difluorophenyl)pyridine-2-carboxamide
CID 62952498
2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 63679531
3-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64524304
2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide
CID 114372361
5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 79080153
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide
CID 61017025
N-[(2-bromo-5-fluorophenyl)methyl]butanamide
CID 61062956
N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 136529873

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2-carboxamide (CID 62954591) is 5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2-carboxamide is O=C(NCc1cc(F)ccc1Br)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is WPNAFZOUDHUMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2FN2O/c14-9-1-4-12(17-7-9)13(19)18-6-8-5-10(16)2-3-11(8)15/h1-5,7H,6H2,(H,18,19).
What are the key properties of 5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2-carboxamide?
5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 388.03 g/mol, XLogP of 3.68, 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-bromo-5-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 62954591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).