3-chloro-6-(difluoromethyl)-2-iodo-4-nitropyridine

C6H2ClF2IN2O2 — CID 130073075

IUPAC3-chloro-6-(difluoromethyl)-2-iodo-4-nitropyridine
SMILESO=[N+]([O-])c1cc(C(F)F)nc(I)c1Cl
InChIInChI=1S/C6H2ClF2IN2O2/c7-4-3(12(13)14)1-2(5(8)9)11-6(4)10/h1,5H
InChIKeyNRSCXYGCUSSNST-UHFFFAOYSA-N
MW334.45 g/mol
LogP3.19
Rot. Bonds2

About 3-chloro-6-(difluoromethyl)-2-iodo-4-nitropyridine

3-chloro-6-(difluoromethyl)-2-iodo-4-nitropyridine (PubChem CID 130073075) has the molecular formula C6H2ClF2IN2O2 and a molecular weight of 334.45 g/mol. Its IUPAC name is 3-chloro-6-(difluoromethyl)-2-iodo-4-nitropyridine.

Molecular Properties

Compound Name3-chloro-6-(difluoromethyl)-2-iodo-4-nitropyridine
PubChem CID130073075
Molecular FormulaC6H2ClF2IN2O2
Molecular Weight334.45 g/mol
Exact Mass333.88
IUPAC Name3-chloro-6-(difluoromethyl)-2-iodo-4-nitropyridine
SMILESO=[N+]([O-])c1cc(C(F)F)nc(I)c1Cl
InChIInChI=1S/C6H2ClF2IN2O2/c7-4-3(12(13)14)1-2(5(8)9)11-6(4)10/h1,5H
InChIKeyNRSCXYGCUSSNST-UHFFFAOYSA-N
XLogP3.19
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 53.19
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

3-bromo-6-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130068192
3-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131446537
3-chloro-6-(difluoromethyl)-2-iodopyridin-4-amine
CID 130102520
2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine
CID 118838108
2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carbaldehyde
CID 118999855
2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carboxylic acid
CID 119021392
6-(difluoromethyl)-2,3-dimethyl-4-nitropyridine
CID 130101216
3,4-dichloro-6-(difluoromethyl)-2-nitropyridine
CID 130099273
[2-amino-6-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
CID 119006327
3-bromo-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131491229
2,4-dichloro-3-fluoro-1,5-dinitrobenzene
CID 86775443
3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-nitropyridine
CID 130086601

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(difluoromethyl)-2-iodo-4-nitropyridine?
The IUPAC name of 3-chloro-6-(difluoromethyl)-2-iodo-4-nitropyridine (CID 130073075) is 3-chloro-6-(difluoromethyl)-2-iodo-4-nitropyridine.
What is the SMILES notation for 3-chloro-6-(difluoromethyl)-2-iodo-4-nitropyridine?
The canonical SMILES for 3-chloro-6-(difluoromethyl)-2-iodo-4-nitropyridine is O=[N+]([O-])c1cc(C(F)F)nc(I)c1Cl.
What is the InChIKey of 3-chloro-6-(difluoromethyl)-2-iodo-4-nitropyridine?
The InChIKey is NRSCXYGCUSSNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF2IN2O2/c7-4-3(12(13)14)1-2(5(8)9)11-6(4)10/h1,5H.
What are the key properties of 3-chloro-6-(difluoromethyl)-2-iodo-4-nitropyridine?
3-chloro-6-(difluoromethyl)-2-iodo-4-nitropyridine has a molecular weight of 334.45 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(difluoromethyl)-2-iodo-4-nitropyridine is sourced from PubChem (CID 130073075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).