(5-iodo-2-nitrophenyl)-pyridin-3-ylmethanone

C12H7IN2O3 — CID 134638321

IUPAC(5-iodo-2-nitrophenyl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cc(I)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H7IN2O3/c13-9-3-4-11(15(17)18)10(6-9)12(16)8-2-1-5-14-7-8/h1-7H
InChIKeyYJIFAJMSZQDLPA-UHFFFAOYSA-N
MW354.10 g/mol
LogP2.83
Rot. Bonds3

About (5-iodo-2-nitrophenyl)-pyridin-3-ylmethanone

(5-iodo-2-nitrophenyl)-pyridin-3-ylmethanone (PubChem CID 134638321) has the molecular formula C12H7IN2O3 and a molecular weight of 354.10 g/mol. Its IUPAC name is (5-iodo-2-nitrophenyl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(5-iodo-2-nitrophenyl)-pyridin-3-ylmethanone
PubChem CID134638321
Molecular FormulaC12H7IN2O3
Molecular Weight354.10 g/mol
Exact Mass353.95
IUPAC Name(5-iodo-2-nitrophenyl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cc(I)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H7IN2O3/c13-9-3-4-11(15(17)18)10(6-9)12(16)8-2-1-5-14-7-8/h1-7H
InChIKeyYJIFAJMSZQDLPA-UHFFFAOYSA-N
XLogP2.83
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.10
LogP ≤ 52.83
H-Bond Donors ≤ 50
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

(2-iodo-5-nitrophenyl)-pyridin-3-ylmethanone
CID 134638297
(5-nitro-1H-indol-3-yl)-pyridin-3-ylmethanone
CID 43340513
N'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide
CID 15547621
N-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39679512
2-(4-iodo-2-nitrophenyl)-1-phenylethanone
CID 66080564
[3-(difluoromethyl)-2-nitrophenyl]-pyridin-3-ylmethanone
CID 134621605
tris(nitric acid);pyridine-3-carboxylic acid
CID 71410042
[2-(difluoromethoxy)-6-nitrophenyl]-pyridin-3-ylmethanone
CID 134621166
4-nitro-2-(pyridine-3-carbonylamino)phenolate
CID 6946227
2-nitro-N-(1-pyridin-3-ylethylideneamino)benzamide
CID 5154490
5-(3-iodophenoxy)-2-nitrobenzoic acid
CID 43216913
N-(4-iodo-2-nitrophenyl)benzamide
CID 177460424

Frequently Asked Questions

What is the IUPAC name of (5-iodo-2-nitrophenyl)-pyridin-3-ylmethanone?
The IUPAC name of (5-iodo-2-nitrophenyl)-pyridin-3-ylmethanone (CID 134638321) is (5-iodo-2-nitrophenyl)-pyridin-3-ylmethanone.
What is the SMILES notation for (5-iodo-2-nitrophenyl)-pyridin-3-ylmethanone?
The canonical SMILES for (5-iodo-2-nitrophenyl)-pyridin-3-ylmethanone is O=C(c1cccnc1)c1cc(I)ccc1[N+](=O)[O-].
What is the InChIKey of (5-iodo-2-nitrophenyl)-pyridin-3-ylmethanone?
The InChIKey is YJIFAJMSZQDLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7IN2O3/c13-9-3-4-11(15(17)18)10(6-9)12(16)8-2-1-5-14-7-8/h1-7H.
What are the key properties of (5-iodo-2-nitrophenyl)-pyridin-3-ylmethanone?
(5-iodo-2-nitrophenyl)-pyridin-3-ylmethanone has a molecular weight of 354.10 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodo-2-nitrophenyl)-pyridin-3-ylmethanone is sourced from PubChem (CID 134638321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).