N-(6-fluoro-3-pyridinyl)-2-iodobenzamide

C12H8FIN2O — CID 103789921

IUPACN-(6-fluoro-3-pyridinyl)-2-iodobenzamide
SMILESO=C(Nc1ccc(F)nc1)c1ccccc1I
InChIInChI=1S/C12H8FIN2O/c13-11-6-5-8(7-15-11)16-12(17)9-3-1-2-4-10(9)14/h1-7H,(H,16,17)
InChIKeyJMIBHSGMGAVDFS-UHFFFAOYSA-N
MW342.11 g/mol
LogP3.08
Rot. Bonds2

About N-(6-fluoro-3-pyridinyl)-2-iodobenzamide

N-(6-fluoro-3-pyridinyl)-2-iodobenzamide (PubChem CID 103789921) has the molecular formula C12H8FIN2O and a molecular weight of 342.11 g/mol. Its IUPAC name is N-(6-fluoro-3-pyridinyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(6-fluoro-3-pyridinyl)-2-iodobenzamide
PubChem CID103789921
Molecular FormulaC12H8FIN2O
Molecular Weight342.11 g/mol
Exact Mass341.97
IUPAC NameN-(6-fluoro-3-pyridinyl)-2-iodobenzamide
SMILESO=C(Nc1ccc(F)nc1)c1ccccc1I
InChIInChI=1S/C12H8FIN2O/c13-11-6-5-8(7-15-11)16-12(17)9-3-1-2-4-10(9)14/h1-7H,(H,16,17)
InChIKeyJMIBHSGMGAVDFS-UHFFFAOYSA-N
XLogP3.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.11
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide
CID 107358891
N-(5-fluoro-2-pyridinyl)-2-iodobenzamide
CID 62877590
N-(6-fluoro-3-pyridinyl)-1H-indole-3-carboxamide
CID 103789953
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-iodobenzamide
CID 122303200
2-iodo-N-(4-iodophenyl)benzamide
CID 3118704
N-(6-fluoro-3-pyridinyl)quinoxaline-5-carboxamide
CID 104578190
3-chloro-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide
CID 107143571
N-(6-fluoro-3-pyridinyl)-2,6-dihydroxybenzamide
CID 103923595
N-[4-(carbamoylamino)phenyl]-2-iodobenzamide
CID 33152104
N-(3-chloro-4-fluorophenyl)-2-iodobenzamide
CID 615783
N-(4-chloro-3-fluorophenyl)-2-iodobenzamide
CID 47227907
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide
CID 31923974

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-pyridinyl)-2-iodobenzamide?
The IUPAC name of N-(6-fluoro-3-pyridinyl)-2-iodobenzamide (CID 103789921) is N-(6-fluoro-3-pyridinyl)-2-iodobenzamide.
What is the SMILES notation for N-(6-fluoro-3-pyridinyl)-2-iodobenzamide?
The canonical SMILES for N-(6-fluoro-3-pyridinyl)-2-iodobenzamide is O=C(Nc1ccc(F)nc1)c1ccccc1I.
What is the InChIKey of N-(6-fluoro-3-pyridinyl)-2-iodobenzamide?
The InChIKey is JMIBHSGMGAVDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FIN2O/c13-11-6-5-8(7-15-11)16-12(17)9-3-1-2-4-10(9)14/h1-7H,(H,16,17).
What are the key properties of N-(6-fluoro-3-pyridinyl)-2-iodobenzamide?
N-(6-fluoro-3-pyridinyl)-2-iodobenzamide has a molecular weight of 342.11 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-pyridinyl)-2-iodobenzamide is sourced from PubChem (CID 103789921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).