5-iodo-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde

C7H2F3IN2O4 — CID 134676264

IUPAC5-iodo-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESO=Cc1c(I)cnc([N+](=O)[O-])c1OC(F)(F)F
InChIInChI=1S/C7H2F3IN2O4/c8-7(9,10)17-5-3(2-14)4(11)1-12-6(5)13(15)16/h1-2H
InChIKeyJFKWBXGYOHAGQQ-UHFFFAOYSA-N
MW362.00 g/mol
LogP2.31
Rot. Bonds3

About 5-iodo-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde

5-iodo-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde (PubChem CID 134676264) has the molecular formula C7H2F3IN2O4 and a molecular weight of 362.00 g/mol. Its IUPAC name is 5-iodo-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-iodo-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde
PubChem CID134676264
Molecular FormulaC7H2F3IN2O4
Molecular Weight362.00 g/mol
Exact Mass361.90
IUPAC Name5-iodo-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESO=Cc1c(I)cnc([N+](=O)[O-])c1OC(F)(F)F
InChIInChI=1S/C7H2F3IN2O4/c8-7(9,10)17-5-3(2-14)4(11)1-12-6(5)13(15)16/h1-2H
InChIKeyJFKWBXGYOHAGQQ-UHFFFAOYSA-N
XLogP2.31
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.00
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134666765
5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134671187
3-iodo-5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine
CID 134679652
methyl 5-iodo-6-nitro-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134666780
5-iodo-3-methyl-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 130113000
5-(difluoromethyl)-3-fluoro-2-nitro-4-(trifluoromethoxy)pyridine
CID 134659642
4-(difluoromethyl)-5-methyl-2-nitro-3-(trifluoromethoxy)pyridine
CID 134672786
5-(difluoromethyl)-4-iodo-2-nitropyridine-3-carbaldehyde
CID 130086717
4-(aminomethyl)-6-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 118829972
5-hydroxy-2-nitro-3-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 134666704
3-methoxy-4-methyl-2-nitro-5-(trifluoromethoxy)pyridine
CID 134666045
[4-methoxy-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134677550

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde?
The IUPAC name of 5-iodo-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde (CID 134676264) is 5-iodo-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde.
What is the SMILES notation for 5-iodo-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde?
The canonical SMILES for 5-iodo-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde is O=Cc1c(I)cnc([N+](=O)[O-])c1OC(F)(F)F.
What is the InChIKey of 5-iodo-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde?
The InChIKey is JFKWBXGYOHAGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F3IN2O4/c8-7(9,10)17-5-3(2-14)4(11)1-12-6(5)13(15)16/h1-2H.
What are the key properties of 5-iodo-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde?
5-iodo-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde has a molecular weight of 362.00 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde is sourced from PubChem (CID 134676264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).