5-bromo-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide

C12H7BrFIN2O — CID 113340903

IUPAC5-bromo-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1I)c1ccc(Br)cn1
InChIInChI=1S/C12H7BrFIN2O/c13-7-4-5-10(16-6-7)12(18)17-9-3-1-2-8(14)11(9)15/h1-6H,(H,17,18)
InChIKeyNFPIIGDQYGQUOK-UHFFFAOYSA-N
MW421.01 g/mol
LogP3.84
Rot. Bonds2

About 5-bromo-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide

5-bromo-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide (PubChem CID 113340903) has the molecular formula C12H7BrFIN2O and a molecular weight of 421.01 g/mol. Its IUPAC name is 5-bromo-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide
PubChem CID113340903
Molecular FormulaC12H7BrFIN2O
Molecular Weight421.01 g/mol
Exact Mass419.88
IUPAC Name5-bromo-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1I)c1ccc(Br)cn1
InChIInChI=1S/C12H7BrFIN2O/c13-7-4-5-10(16-6-7)12(18)17-9-3-1-2-8(14)11(9)15/h1-6H,(H,17,18)
InChIKeyNFPIIGDQYGQUOK-UHFFFAOYSA-N
XLogP3.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.01
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2-chlorophenyl)pyridine-2-carboxamide
CID 62953356
5-bromo-N-(2,5-difluorophenyl)pyridine-2-carboxamide
CID 62952498
4-chloro-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide
CID 113340906
N-[(5-bromo-2-pyridinyl)methyl]-3-fluoro-2-iodoaniline
CID 114258358
N-(2,1,3-benzoselenadiazol-4-yl)-5-bromopyridine-2-carboxamide
CID 62955088
5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 62954887
5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide
CID 55152694
N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide
CID 62958937
4-chloro-N-(3-fluoro-2-iodophenyl)pyridine-3-carboxamide
CID 114258700
5-bromo-N-pyrimidin-2-ylpyridine-2-carboxamide
CID 62952846
5-(3-bromoanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109198855
5-(aminomethyl)-N-(2,3-difluorophenyl)pyridine-2-carboxamide
CID 55229818

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide (CID 113340903) is 5-bromo-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide is O=C(Nc1cccc(F)c1I)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide?
The InChIKey is NFPIIGDQYGQUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFIN2O/c13-7-4-5-10(16-6-7)12(18)17-9-3-1-2-8(14)11(9)15/h1-6H,(H,17,18).
What are the key properties of 5-bromo-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide?
5-bromo-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide has a molecular weight of 421.01 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 113340903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).