2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide

C13H10IN3O3 — CID 63327531

IUPAC2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide
SMILESCc1ccncc1NC(=O)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C13H10IN3O3/c1-8-4-5-15-7-12(8)16-13(18)10-6-9(17(19)20)2-3-11(10)14/h2-7H,1H3,(H,16,18)
InChIKeyHDKTYDZWWSPYPV-UHFFFAOYSA-N
MW383.15 g/mol
LogP3.16
Rot. Bonds3

About 2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide

2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide (PubChem CID 63327531) has the molecular formula C13H10IN3O3 and a molecular weight of 383.15 g/mol. Its IUPAC name is 2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide
PubChem CID63327531
Molecular FormulaC13H10IN3O3
Molecular Weight383.15 g/mol
Exact Mass382.98
IUPAC Name2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide
SMILESCc1ccncc1NC(=O)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C13H10IN3O3/c1-8-4-5-15-7-12(8)16-13(18)10-6-9(17(19)20)2-3-11(10)14/h2-7H,1H3,(H,16,18)
InChIKeyHDKTYDZWWSPYPV-UHFFFAOYSA-N
XLogP3.16
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.15
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide
CID 38898747
2-iodo-5-nitro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78874217
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
N-cyclopropyl-3-[(2-iodo-5-nitrobenzoyl)amino]-4-methylbenzamide
CID 55786243
N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide
CID 38887087
N'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide
CID 15547621
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-iodo-5-nitrobenzamide
CID 65486427
2-iodo-N-(4-iodophenyl)-5-nitrobenzamide
CID 38888111
N-(2-chloro-6-methylphenyl)-2-iodo-5-nitrobenzamide
CID 66255521
5-amino-4-fluoro-N-(4-methyl-3-pyridinyl)-2-nitrobenzamide
CID 63328476
2-iodo-5-nitro-N-(thiadiazol-5-yl)benzamide
CID 114912062
methyl 3-[(2-iodo-5-nitrobenzoyl)amino]-2-methylbenzoate
CID 78904302

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide?
The IUPAC name of 2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide (CID 63327531) is 2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide.
What is the SMILES notation for 2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide?
The canonical SMILES for 2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide is Cc1ccncc1NC(=O)c1cc([N+](=O)[O-])ccc1I.
What is the InChIKey of 2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide?
The InChIKey is HDKTYDZWWSPYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10IN3O3/c1-8-4-5-15-7-12(8)16-13(18)10-6-9(17(19)20)2-3-11(10)14/h2-7H,1H3,(H,16,18).
What are the key properties of 2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide?
2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide has a molecular weight of 383.15 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide is sourced from PubChem (CID 63327531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).