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

C12H7BrF2N2O — CID 62952498

IUPAC5-bromo-N-(2,5-difluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1ccc(Br)cn1
InChIInChI=1S/C12H7BrF2N2O/c13-7-1-4-10(16-6-7)12(18)17-11-5-8(14)2-3-9(11)15/h1-6H,(H,17,18)
InChIKeyIFTSFDIQUVDUQP-UHFFFAOYSA-N
MW313.10 g/mol
LogP3.37
Rot. Bonds2

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

5-bromo-N-(2,5-difluorophenyl)pyridine-2-carboxamide (PubChem CID 62952498) has the molecular formula C12H7BrF2N2O and a molecular weight of 313.10 g/mol. Its IUPAC name is 5-bromo-N-(2,5-difluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,5-difluorophenyl)pyridine-2-carboxamide
PubChem CID62952498
Molecular FormulaC12H7BrF2N2O
Molecular Weight313.10 g/mol
Exact Mass311.97
IUPAC Name5-bromo-N-(2,5-difluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1ccc(Br)cn1
InChIInChI=1S/C12H7BrF2N2O/c13-7-1-4-10(16-6-7)12(18)17-11-5-8(14)2-3-9(11)15/h1-6H,(H,17,18)
InChIKeyIFTSFDIQUVDUQP-UHFFFAOYSA-N
XLogP3.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.10
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[(5-bromopyridine-2-carbonyl)amino]-4-fluorobenzoate
CID 62953371
N-(2,5-difluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 104639737
N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide
CID 62958937
5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide
CID 55152694
5-bromo-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide
CID 113340903
4-fluoro-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638170
5-bromo-N-(3-chloro-5-fluorophenyl)pyridine-2-carboxamide
CID 113259351
5-amino-N-(2-bromo-5-fluorophenyl)pyridine-2-carboxamide
CID 107624285
4-bromo-N-(2,5-difluorophenyl)-1H-pyrrole-2-carboxamide
CID 43410581
4-bromo-2-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638178
5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
CID 90238784
5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2-carboxamide
CID 62954591

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,5-difluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,5-difluorophenyl)pyridine-2-carboxamide (CID 62952498) is 5-bromo-N-(2,5-difluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,5-difluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,5-difluorophenyl)pyridine-2-carboxamide is O=C(Nc1cc(F)ccc1F)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2,5-difluorophenyl)pyridine-2-carboxamide?
The InChIKey is IFTSFDIQUVDUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2N2O/c13-7-1-4-10(16-6-7)12(18)17-11-5-8(14)2-3-9(11)15/h1-6H,(H,17,18).
What are the key properties of 5-bromo-N-(2,5-difluorophenyl)pyridine-2-carboxamide?
5-bromo-N-(2,5-difluorophenyl)pyridine-2-carboxamide has a molecular weight of 313.10 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,5-difluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62952498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).