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

C7H2F3IN2O4 — CID 134666764

IUPAC6-iodo-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1nc(I)c([N+](=O)[O-])cc1OC(F)(F)F
InChIInChI=1S/C7H2F3IN2O4/c8-7(9,10)17-5-1-4(13(15)16)6(11)12-3(5)2-14/h1-2H
InChIKeyBLOYUUKBSMNGPO-UHFFFAOYSA-N
MW362.00 g/mol
LogP2.31
Rot. Bonds3

About 6-iodo-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde

6-iodo-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde (PubChem CID 134666764) has the molecular formula C7H2F3IN2O4 and a molecular weight of 362.00 g/mol. Its IUPAC name is 6-iodo-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-iodo-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde
PubChem CID134666764
Molecular FormulaC7H2F3IN2O4
Molecular Weight362.00 g/mol
Exact Mass361.90
IUPAC Name6-iodo-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1nc(I)c([N+](=O)[O-])cc1OC(F)(F)F
InChIInChI=1S/C7H2F3IN2O4/c8-7(9,10)17-5-1-4(13(15)16)6(11)12-3(5)2-14/h1-2H
InChIKeyBLOYUUKBSMNGPO-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'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

3-iodo-5-nitro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134679774
3-iodo-4-nitro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134679773
2-(bromomethyl)-6-iodo-3-nitro-5-(trifluoromethoxy)pyridine
CID 134660726
2-iodo-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134665826
6-iodo-3-nitro-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134660949
3-iodo-4-nitro-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134681097
3-(fluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134666917
2-iodo-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134666765
4-methyl-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134677349
4-methyl-3-nitro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134682178
2-fluoro-3-methyl-1-nitro-4-(trifluoromethoxy)benzene
CID 134620278
2-methyl-1-nitro-3-(trifluoromethoxy)benzene
CID 134621077

Frequently Asked Questions

What is the IUPAC name of 6-iodo-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 6-iodo-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde (CID 134666764) is 6-iodo-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-iodo-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 6-iodo-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde is O=Cc1nc(I)c([N+](=O)[O-])cc1OC(F)(F)F.
What is the InChIKey of 6-iodo-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde?
The InChIKey is BLOYUUKBSMNGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F3IN2O4/c8-7(9,10)17-5-1-4(13(15)16)6(11)12-3(5)2-14/h1-2H.
What are the key properties of 6-iodo-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde?
6-iodo-5-nitro-3-(trifluoromethoxy)pyridine-2-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 6-iodo-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 134666764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).