N-(6-amino-3-pyridinyl)-5-chloro-2-iodobenzamide

C12H9ClIN3O — CID 113265570

IUPACN-(6-amino-3-pyridinyl)-5-chloro-2-iodobenzamide
SMILESNc1ccc(NC(=O)c2cc(Cl)ccc2I)cn1
InChIInChI=1S/C12H9ClIN3O/c13-7-1-3-10(14)9(5-7)12(18)17-8-2-4-11(15)16-6-8/h1-6H,(H2,15,16)(H,17,18)
InChIKeyHZORNOJISBSUDO-UHFFFAOYSA-N
MW373.58 g/mol
LogP3.17
Rot. Bonds2

About N-(6-amino-3-pyridinyl)-5-chloro-2-iodobenzamide

N-(6-amino-3-pyridinyl)-5-chloro-2-iodobenzamide (PubChem CID 113265570) has the molecular formula C12H9ClIN3O and a molecular weight of 373.58 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-5-chloro-2-iodobenzamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-5-chloro-2-iodobenzamide
PubChem CID113265570
Molecular FormulaC12H9ClIN3O
Molecular Weight373.58 g/mol
Exact Mass372.95
IUPAC NameN-(6-amino-3-pyridinyl)-5-chloro-2-iodobenzamide
SMILESNc1ccc(NC(=O)c2cc(Cl)ccc2I)cn1
InChIInChI=1S/C12H9ClIN3O/c13-7-1-3-10(14)9(5-7)12(18)17-8-2-4-11(15)16-6-8/h1-6H,(H2,15,16)(H,17,18)
InChIKeyHZORNOJISBSUDO-UHFFFAOYSA-N
XLogP3.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.58
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-3-pyridinyl)-4-chloro-2-hydroxybenzamide
CID 55132975
N-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide
CID 103806405
5-chloro-2-iodo-N-pyridin-3-ylbenzamide
CID 47188812
N-(6-amino-3-pyridinyl)-3-chlorobenzamide
CID 62899569
N-(4-amino-1H-pyrazol-5-yl)-5-chloro-2-iodobenzamide
CID 114030278
2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide
CID 114052632
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
5-chloro-N-(3-hydroxy-2-pyridinyl)-2-iodobenzamide
CID 52875609
5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2-iodobenzamide
CID 103771882
1-(6-amino-3-pyridinyl)-3-(3,5-dichlorophenyl)urea
CID 107654059
N-(6-amino-3-pyridinyl)-4-iodobenzamide
CID 55132398
N-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide
CID 62901689

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-5-chloro-2-iodobenzamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-5-chloro-2-iodobenzamide (CID 113265570) is N-(6-amino-3-pyridinyl)-5-chloro-2-iodobenzamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-5-chloro-2-iodobenzamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-5-chloro-2-iodobenzamide is Nc1ccc(NC(=O)c2cc(Cl)ccc2I)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-5-chloro-2-iodobenzamide?
The InChIKey is HZORNOJISBSUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClIN3O/c13-7-1-3-10(14)9(5-7)12(18)17-8-2-4-11(15)16-6-8/h1-6H,(H2,15,16)(H,17,18).
What are the key properties of N-(6-amino-3-pyridinyl)-5-chloro-2-iodobenzamide?
N-(6-amino-3-pyridinyl)-5-chloro-2-iodobenzamide has a molecular weight of 373.58 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-5-chloro-2-iodobenzamide is sourced from PubChem (CID 113265570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).