(4-iodo-3-nitrophenyl)-pyridin-4-ylmethanone

C12H7IN2O3 — CID 134638324

IUPAC(4-iodo-3-nitrophenyl)-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1ccc(I)c([N+](=O)[O-])c1
InChIInChI=1S/C12H7IN2O3/c13-10-2-1-9(7-11(10)15(17)18)12(16)8-3-5-14-6-4-8/h1-7H
InChIKeyYIYSRRLSWPQGOX-UHFFFAOYSA-N
MW354.10 g/mol
LogP2.83
Rot. Bonds3

About (4-iodo-3-nitrophenyl)-pyridin-4-ylmethanone

(4-iodo-3-nitrophenyl)-pyridin-4-ylmethanone (PubChem CID 134638324) has the molecular formula C12H7IN2O3 and a molecular weight of 354.10 g/mol. Its IUPAC name is (4-iodo-3-nitrophenyl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(4-iodo-3-nitrophenyl)-pyridin-4-ylmethanone
PubChem CID134638324
Molecular FormulaC12H7IN2O3
Molecular Weight354.10 g/mol
Exact Mass353.95
IUPAC Name(4-iodo-3-nitrophenyl)-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1ccc(I)c([N+](=O)[O-])c1
InChIInChI=1S/C12H7IN2O3/c13-10-2-1-9(7-11(10)15(17)18)12(16)8-3-5-14-6-4-8/h1-7H
InChIKeyYIYSRRLSWPQGOX-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-6-nitrophenyl)-pyridin-4-ylmethanone
CID 134638323
[3-(difluoromethoxy)-4-nitrophenyl]-pyridin-4-ylmethanone
CID 134627459
1-(4-iodo-3-nitrophenyl)butan-1-one
CID 174678775
3-nitro-4-(pyridine-4-carbonylamino)benzoic acid
CID 60846267
bis(4-methyl-3-nitrophenyl)methanone
CID 2259929
bis(4-amino-3-nitrophenyl)methanone;dihydrochloride
CID 143823291
(4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone
CID 838862
[5-(difluoromethoxy)-2-nitrophenyl]-pyridin-4-ylmethanone
CID 134627642
[4-[4-nitro-3-(trifluoromethyl)benzoyl]phenyl]-[4-nitro-3-(trifluoromethyl)phenyl]methanone
CID 86190573
2-cyano-N-(4-iodo-3-nitrophenyl)acetamide
CID 168520377
methyl 3-nitro-4-pyridin-4-ylbenzoate
CID 46317476
arsoric acid;(4-hydroxy-3-nitrophenyl)-phenylmethanone
CID 160665617

Frequently Asked Questions

What is the IUPAC name of (4-iodo-3-nitrophenyl)-pyridin-4-ylmethanone?
The IUPAC name of (4-iodo-3-nitrophenyl)-pyridin-4-ylmethanone (CID 134638324) is (4-iodo-3-nitrophenyl)-pyridin-4-ylmethanone.
What is the SMILES notation for (4-iodo-3-nitrophenyl)-pyridin-4-ylmethanone?
The canonical SMILES for (4-iodo-3-nitrophenyl)-pyridin-4-ylmethanone is O=C(c1ccncc1)c1ccc(I)c([N+](=O)[O-])c1.
What is the InChIKey of (4-iodo-3-nitrophenyl)-pyridin-4-ylmethanone?
The InChIKey is YIYSRRLSWPQGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7IN2O3/c13-10-2-1-9(7-11(10)15(17)18)12(16)8-3-5-14-6-4-8/h1-7H.
What are the key properties of (4-iodo-3-nitrophenyl)-pyridin-4-ylmethanone?
(4-iodo-3-nitrophenyl)-pyridin-4-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 (4-iodo-3-nitrophenyl)-pyridin-4-ylmethanone is sourced from PubChem (CID 134638324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).