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

C6H2ClF2IN2O2 — CID 130073042

IUPAC6-chloro-3-(difluoromethyl)-4-iodo-2-nitropyridine
SMILESO=[N+]([O-])c1nc(Cl)cc(I)c1C(F)F
InChIInChI=1S/C6H2ClF2IN2O2/c7-3-1-2(10)4(5(8)9)6(11-3)12(13)14/h1,5H
InChIKeyGYWZUNCHVASTHX-UHFFFAOYSA-N
MW334.45 g/mol
LogP3.19
Rot. Bonds2

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

6-chloro-3-(difluoromethyl)-4-iodo-2-nitropyridine (PubChem CID 130073042) has the molecular formula C6H2ClF2IN2O2 and a molecular weight of 334.45 g/mol. Its IUPAC name is 6-chloro-3-(difluoromethyl)-4-iodo-2-nitropyridine.

Molecular Properties

Compound Name6-chloro-3-(difluoromethyl)-4-iodo-2-nitropyridine
PubChem CID130073042
Molecular FormulaC6H2ClF2IN2O2
Molecular Weight334.45 g/mol
Exact Mass333.88
IUPAC Name6-chloro-3-(difluoromethyl)-4-iodo-2-nitropyridine
SMILESO=[N+]([O-])c1nc(Cl)cc(I)c1C(F)F
InChIInChI=1S/C6H2ClF2IN2O2/c7-3-1-2(10)4(5(8)9)6(11-3)12(13)14/h1,5H
InChIKeyGYWZUNCHVASTHX-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-(difluoromethyl)-4,6-diiodo-2-nitropyridine
CID 130100550
3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine
CID 130079937
3-(chloromethyl)-6-(difluoromethyl)-4-iodo-2-nitropyridine
CID 130086628
4-(chloromethyl)-3-(difluoromethyl)-5-iodo-2-nitropyridine
CID 118807283
3-(chloromethyl)-4-(difluoromethyl)-5-iodo-2-nitropyridine
CID 130086604
6-chloro-3-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130073307
2,6-dichloro-3-(difluoromethyl)-4-nitropyridine
CID 119017807
6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine
CID 130109415
4-chloro-3-(difluoromethyl)-6-methoxy-2-nitropyridine
CID 118811329
3-(difluoromethyl)-4,6-difluoro-2-nitropyridine
CID 118800101
6-chloro-4-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 130074851
2-(chloromethyl)-3-(difluoromethyl)-5-iodo-6-nitropyridine
CID 118826854

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(difluoromethyl)-4-iodo-2-nitropyridine?
The IUPAC name of 6-chloro-3-(difluoromethyl)-4-iodo-2-nitropyridine (CID 130073042) is 6-chloro-3-(difluoromethyl)-4-iodo-2-nitropyridine.
What is the SMILES notation for 6-chloro-3-(difluoromethyl)-4-iodo-2-nitropyridine?
The canonical SMILES for 6-chloro-3-(difluoromethyl)-4-iodo-2-nitropyridine is O=[N+]([O-])c1nc(Cl)cc(I)c1C(F)F.
What is the InChIKey of 6-chloro-3-(difluoromethyl)-4-iodo-2-nitropyridine?
The InChIKey is GYWZUNCHVASTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF2IN2O2/c7-3-1-2(10)4(5(8)9)6(11-3)12(13)14/h1,5H.
What are the key properties of 6-chloro-3-(difluoromethyl)-4-iodo-2-nitropyridine?
6-chloro-3-(difluoromethyl)-4-iodo-2-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 6-chloro-3-(difluoromethyl)-4-iodo-2-nitropyridine is sourced from PubChem (CID 130073042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).