5-chloro-2-iodo-N-pyridin-3-ylbenzamide

C12H8ClIN2O — CID 47188812

IUPAC5-chloro-2-iodo-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cc(Cl)ccc1I
InChIInChI=1S/C12H8ClIN2O/c13-8-3-4-11(14)10(6-8)12(17)16-9-2-1-5-15-7-9/h1-7H,(H,16,17)
InChIKeyHPNXJLWBVIWMPQ-UHFFFAOYSA-N
MW358.57 g/mol
LogP3.59
Rot. Bonds2

About 5-chloro-2-iodo-N-pyridin-3-ylbenzamide

5-chloro-2-iodo-N-pyridin-3-ylbenzamide (PubChem CID 47188812) has the molecular formula C12H8ClIN2O and a molecular weight of 358.57 g/mol. Its IUPAC name is 5-chloro-2-iodo-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-chloro-2-iodo-N-pyridin-3-ylbenzamide
PubChem CID47188812
Molecular FormulaC12H8ClIN2O
Molecular Weight358.57 g/mol
Exact Mass357.94
IUPAC Name5-chloro-2-iodo-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cc(Cl)ccc1I
InChIInChI=1S/C12H8ClIN2O/c13-8-3-4-11(14)10(6-8)12(17)16-9-2-1-5-15-7-9/h1-7H,(H,16,17)
InChIKeyHPNXJLWBVIWMPQ-UHFFFAOYSA-N
XLogP3.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.57
LogP ≤ 53.59
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

N-(6-amino-3-pyridinyl)-5-chloro-2-iodobenzamide
CID 113265570
5-chloro-N-(3-hydroxy-2-pyridinyl)-2-iodobenzamide
CID 52875609
3,5-dichloro-N-pyridin-3-ylbenzamide
CID 1245821
2-chloro-5-hydroxy-N-pyridin-3-ylbenzamide
CID 106501191
N-[3-[(5-chloro-2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188175
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
2-[(2-chlorobenzoyl)amino]-5-iodo-N-pyridin-3-ylbenzamide
CID 2196346
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
2-fluoro-N-pyridin-3-yl-5-sulfanylbenzamide
CID 107019647
5-chloro-2-iodo-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 55691116
2-chloro-5-[(3,5-dichlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 44561918
3,6-dichloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 30337065

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodo-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-chloro-2-iodo-N-pyridin-3-ylbenzamide (CID 47188812) is 5-chloro-2-iodo-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-chloro-2-iodo-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-chloro-2-iodo-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-2-iodo-N-pyridin-3-ylbenzamide?
The InChIKey is HPNXJLWBVIWMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClIN2O/c13-8-3-4-11(14)10(6-8)12(17)16-9-2-1-5-15-7-9/h1-7H,(H,16,17).
What are the key properties of 5-chloro-2-iodo-N-pyridin-3-ylbenzamide?
5-chloro-2-iodo-N-pyridin-3-ylbenzamide has a molecular weight of 358.57 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodo-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 47188812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).