3-(difluoromethyl)-2-iodo-6-nitro-5-(trifluoromethyl)pyridine

C7H2F5IN2O2 — CID 133101197

IUPAC3-(difluoromethyl)-2-iodo-6-nitro-5-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1nc(I)c(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C7H2F5IN2O2/c8-4(9)2-1-3(7(10,11)12)6(15(16)17)14-5(2)13/h1,4H
InChIKeyCEOSXFZILLYFDU-UHFFFAOYSA-N
MW368.00 g/mol
LogP3.55
Rot. Bonds2

About 3-(difluoromethyl)-2-iodo-6-nitro-5-(trifluoromethyl)pyridine

3-(difluoromethyl)-2-iodo-6-nitro-5-(trifluoromethyl)pyridine (PubChem CID 133101197) has the molecular formula C7H2F5IN2O2 and a molecular weight of 368.00 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-iodo-6-nitro-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-2-iodo-6-nitro-5-(trifluoromethyl)pyridine
PubChem CID133101197
Molecular FormulaC7H2F5IN2O2
Molecular Weight368.00 g/mol
Exact Mass367.91
IUPAC Name3-(difluoromethyl)-2-iodo-6-nitro-5-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1nc(I)c(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C7H2F5IN2O2/c8-4(9)2-1-3(7(10,11)12)6(15(16)17)14-5(2)13/h1,4H
InChIKeyCEOSXFZILLYFDU-UHFFFAOYSA-N
XLogP3.55
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.00
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine
CID 119012824
5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile
CID 130077265
2-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridin-3-ol
CID 133102745
5-(chloromethyl)-3-(difluoromethyl)-2-iodo-6-nitropyridine
CID 130086612
5-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine
CID 118999966
[5-(difluoromethyl)-2-iodo-6-nitro-3-pyridinyl]methanamine
CID 130086516
4-(difluoromethyl)-6-fluoro-2-nitropyridin-3-ol
CID 118852034
[4-(difluoromethyl)-6-iodo-2-nitro-3-pyridinyl]methanol
CID 118852204
2-chloro-3-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine
CID 119007178
5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine
CID 130085938
1-chloro-2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)benzene
CID 171006784
3-(difluoromethyl)-4,6-diiodo-2-nitropyridine
CID 130100550

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-iodo-6-nitro-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-(difluoromethyl)-2-iodo-6-nitro-5-(trifluoromethyl)pyridine (CID 133101197) is 3-(difluoromethyl)-2-iodo-6-nitro-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(difluoromethyl)-2-iodo-6-nitro-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(difluoromethyl)-2-iodo-6-nitro-5-(trifluoromethyl)pyridine is O=[N+]([O-])c1nc(I)c(C(F)F)cc1C(F)(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-iodo-6-nitro-5-(trifluoromethyl)pyridine?
The InChIKey is CEOSXFZILLYFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F5IN2O2/c8-4(9)2-1-3(7(10,11)12)6(15(16)17)14-5(2)13/h1,4H.
What are the key properties of 3-(difluoromethyl)-2-iodo-6-nitro-5-(trifluoromethyl)pyridine?
3-(difluoromethyl)-2-iodo-6-nitro-5-(trifluoromethyl)pyridine has a molecular weight of 368.00 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-iodo-6-nitro-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 133101197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).