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

C6H2ClF2IN2O2 — CID 130073070

IUPAC5-chloro-2-(difluoromethyl)-3-iodo-4-nitropyridine
SMILESO=[N+]([O-])c1c(Cl)cnc(C(F)F)c1I
InChIInChI=1S/C6H2ClF2IN2O2/c7-2-1-11-4(6(8)9)3(10)5(2)12(13)14/h1,6H
InChIKeyDZUFFBMBCILPRU-UHFFFAOYSA-N
MW334.45 g/mol
LogP3.19
Rot. Bonds2

About 5-chloro-2-(difluoromethyl)-3-iodo-4-nitropyridine

5-chloro-2-(difluoromethyl)-3-iodo-4-nitropyridine (PubChem CID 130073070) has the molecular formula C6H2ClF2IN2O2 and a molecular weight of 334.45 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-3-iodo-4-nitropyridine.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-3-iodo-4-nitropyridine
PubChem CID130073070
Molecular FormulaC6H2ClF2IN2O2
Molecular Weight334.45 g/mol
Exact Mass333.88
IUPAC Name5-chloro-2-(difluoromethyl)-3-iodo-4-nitropyridine
SMILESO=[N+]([O-])c1c(Cl)cnc(C(F)F)c1I
InChIInChI=1S/C6H2ClF2IN2O2/c7-2-1-11-4(6(8)9)3(10)5(2)12(13)14/h1,6H
InChIKeyDZUFFBMBCILPRU-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': '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

6-(difluoromethyl)-5-iodo-4-nitropyridine-3-sulfonyl chloride
CID 118815364
5-chloro-2-(difluoromethyl)-3,4-diiodopyridine
CID 130100445
4-(chloromethyl)-2-(difluoromethyl)-3-iodo-5-nitropyridine
CID 130086614
5-chloro-6-(difluoromethyl)-4-nitropyridin-3-ol
CID 130072355
4-chloro-6-(difluoromethyl)-5-nitropyridine-3-carboxylic acid
CID 118800128
[5-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130074796
2-(difluoromethyl)-3-iodo-5-nitropyridine-4-carboxamide
CID 118820528
5-chloro-4-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine
CID 134669618
3-bromo-5-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130068179
5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine
CID 130105226
3-(bromomethyl)-2-(difluoromethyl)-4-iodo-5-nitropyridine
CID 130086553
5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride
CID 131451795

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-3-iodo-4-nitropyridine?
The IUPAC name of 5-chloro-2-(difluoromethyl)-3-iodo-4-nitropyridine (CID 130073070) is 5-chloro-2-(difluoromethyl)-3-iodo-4-nitropyridine.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-3-iodo-4-nitropyridine?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-3-iodo-4-nitropyridine is O=[N+]([O-])c1c(Cl)cnc(C(F)F)c1I.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-3-iodo-4-nitropyridine?
The InChIKey is DZUFFBMBCILPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF2IN2O2/c7-2-1-11-4(6(8)9)3(10)5(2)12(13)14/h1,6H.
What are the key properties of 5-chloro-2-(difluoromethyl)-3-iodo-4-nitropyridine?
5-chloro-2-(difluoromethyl)-3-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 5-chloro-2-(difluoromethyl)-3-iodo-4-nitropyridine is sourced from PubChem (CID 130073070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).