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

C6H2BrF2IN2O2 — CID 130110786

IUPAC6-bromo-4-(difluoromethyl)-2-iodo-3-nitropyridine
SMILESO=[N+]([O-])c1c(C(F)F)cc(Br)nc1I
InChIInChI=1S/C6H2BrF2IN2O2/c7-3-1-2(5(8)9)4(12(13)14)6(10)11-3/h1,5H
InChIKeyRJUDVBCVYVBILW-UHFFFAOYSA-N
MW378.90 g/mol
LogP3.29
Rot. Bonds2

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

6-bromo-4-(difluoromethyl)-2-iodo-3-nitropyridine (PubChem CID 130110786) has the molecular formula C6H2BrF2IN2O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is 6-bromo-4-(difluoromethyl)-2-iodo-3-nitropyridine.

Molecular Properties

Compound Name6-bromo-4-(difluoromethyl)-2-iodo-3-nitropyridine
PubChem CID130110786
Molecular FormulaC6H2BrF2IN2O2
Molecular Weight378.90 g/mol
Exact Mass377.83
IUPAC Name6-bromo-4-(difluoromethyl)-2-iodo-3-nitropyridine
SMILESO=[N+]([O-])c1c(C(F)F)cc(Br)nc1I
InChIInChI=1S/C6H2BrF2IN2O2/c7-3-1-2(5(8)9)4(12(13)14)6(10)11-3/h1,5H
InChIKeyRJUDVBCVYVBILW-UHFFFAOYSA-N
XLogP3.29
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.29
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

6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-nitropyridine
CID 130069737
2-[6-bromo-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid
CID 134675378
2-[4-(difluoromethyl)-6-iodo-5-nitro-2-pyridinyl]acetonitrile
CID 118806601
3-bromo-5-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130068179
2-bromo-4-(difluoromethyl)-5-nitropyridine
CID 119024108
6-bromo-2-(difluoromethyl)-4-methyl-3-nitropyridine
CID 130069110
6-bromo-2-(difluoromethyl)-3-nitropyridin-4-amine
CID 118833688
6-bromo-4-(difluoromethyl)-5-nitropyridine-2-sulfonyl chloride
CID 131314338
5-bromo-1-(difluoromethyl)-3-methyl-2-nitrobenzene
CID 131166921
5-chloro-1-(difluoromethyl)-3-iodo-2-nitrobenzene
CID 171004954
2-(bromomethyl)-5-(difluoromethyl)-4-iodo-3-nitropyridine
CID 130086547
2-chloro-4-(difluoromethyl)-3-nitro-6-(trifluoromethyl)pyridine
CID 118993647

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(difluoromethyl)-2-iodo-3-nitropyridine?
The IUPAC name of 6-bromo-4-(difluoromethyl)-2-iodo-3-nitropyridine (CID 130110786) is 6-bromo-4-(difluoromethyl)-2-iodo-3-nitropyridine.
What is the SMILES notation for 6-bromo-4-(difluoromethyl)-2-iodo-3-nitropyridine?
The canonical SMILES for 6-bromo-4-(difluoromethyl)-2-iodo-3-nitropyridine is O=[N+]([O-])c1c(C(F)F)cc(Br)nc1I.
What is the InChIKey of 6-bromo-4-(difluoromethyl)-2-iodo-3-nitropyridine?
The InChIKey is RJUDVBCVYVBILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF2IN2O2/c7-3-1-2(5(8)9)4(12(13)14)6(10)11-3/h1,5H.
What are the key properties of 6-bromo-4-(difluoromethyl)-2-iodo-3-nitropyridine?
6-bromo-4-(difluoromethyl)-2-iodo-3-nitropyridine has a molecular weight of 378.90 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(difluoromethyl)-2-iodo-3-nitropyridine is sourced from PubChem (CID 130110786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).