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

C6H2BrClF2N2O2 — CID 118991271

IUPAC2-bromo-3-chloro-4-(difluoromethyl)-6-nitropyridine
SMILESO=[N+]([O-])c1cc(C(F)F)c(Cl)c(Br)n1
InChIInChI=1S/C6H2BrClF2N2O2/c7-5-4(8)2(6(9)10)1-3(11-5)12(13)14/h1,6H
InChIKeyFCHTVTNNSHYBSZ-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.34
Rot. Bonds2

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

2-bromo-3-chloro-4-(difluoromethyl)-6-nitropyridine (PubChem CID 118991271) has the molecular formula C6H2BrClF2N2O2 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-bromo-3-chloro-4-(difluoromethyl)-6-nitropyridine.

Molecular Properties

Compound Name2-bromo-3-chloro-4-(difluoromethyl)-6-nitropyridine
PubChem CID118991271
Molecular FormulaC6H2BrClF2N2O2
Molecular Weight287.45 g/mol
Exact Mass285.90
IUPAC Name2-bromo-3-chloro-4-(difluoromethyl)-6-nitropyridine
SMILESO=[N+]([O-])c1cc(C(F)F)c(Cl)c(Br)n1
InChIInChI=1S/C6H2BrClF2N2O2/c7-5-4(8)2(6(9)10)1-3(11-5)12(13)14/h1,6H
InChIKeyFCHTVTNNSHYBSZ-UHFFFAOYSA-N
XLogP3.34
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

2-bromo-3-chloro-4-methyl-6-nitropyridine
CID 118994473
3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride
CID 131446502
3-bromo-4-(difluoromethyl)-2-methoxy-6-nitropyridine
CID 130068676
[3-bromo-4-(difluoromethyl)-6-nitro-2-pyridinyl]methanol
CID 130069873
2-chloro-4-(difluoromethyl)-6-nitropyridine
CID 118997619
[2-chloro-4-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
CID 119013250
3-(aminomethyl)-4-(difluoromethyl)-6-nitropyridin-2-amine
CID 134676856
2,6-dibromo-3-(difluoromethyl)-5-nitropyridine
CID 118990338
2-bromo-3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 118995680
4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride
CID 118829446
2-bromo-3-(difluoromethyl)-6-nitropyridine-4-carboxylic acid
CID 119002406
4-(difluoromethyl)-3-iodo-6-nitropyridin-2-amine
CID 119004202

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-4-(difluoromethyl)-6-nitropyridine?
The IUPAC name of 2-bromo-3-chloro-4-(difluoromethyl)-6-nitropyridine (CID 118991271) is 2-bromo-3-chloro-4-(difluoromethyl)-6-nitropyridine.
What is the SMILES notation for 2-bromo-3-chloro-4-(difluoromethyl)-6-nitropyridine?
The canonical SMILES for 2-bromo-3-chloro-4-(difluoromethyl)-6-nitropyridine is O=[N+]([O-])c1cc(C(F)F)c(Cl)c(Br)n1.
What is the InChIKey of 2-bromo-3-chloro-4-(difluoromethyl)-6-nitropyridine?
The InChIKey is FCHTVTNNSHYBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClF2N2O2/c7-5-4(8)2(6(9)10)1-3(11-5)12(13)14/h1,6H.
What are the key properties of 2-bromo-3-chloro-4-(difluoromethyl)-6-nitropyridine?
2-bromo-3-chloro-4-(difluoromethyl)-6-nitropyridine has a molecular weight of 287.45 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-4-(difluoromethyl)-6-nitropyridine is sourced from PubChem (CID 118991271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).