2-(bromomethyl)-6-(difluoromethyl)-4-nitropyridin-3-ol

C7H5BrF2N2O3 — CID 118832789

IUPAC2-(bromomethyl)-6-(difluoromethyl)-4-nitropyridin-3-ol
SMILESO=[N+]([O-])c1cc(C(F)F)nc(CBr)c1O
InChIInChI=1S/C7H5BrF2N2O3/c8-2-4-6(13)5(12(14)15)1-3(11-4)7(9)10/h1,7,13H,2H2
InChIKeyHUBXCHKKXAISAN-UHFFFAOYSA-N
MW283.03 g/mol
LogP2.53
Rot. Bonds3

About 2-(bromomethyl)-6-(difluoromethyl)-4-nitropyridin-3-ol

2-(bromomethyl)-6-(difluoromethyl)-4-nitropyridin-3-ol (PubChem CID 118832789) has the molecular formula C7H5BrF2N2O3 and a molecular weight of 283.03 g/mol. Its IUPAC name is 2-(bromomethyl)-6-(difluoromethyl)-4-nitropyridin-3-ol.

Molecular Properties

Compound Name2-(bromomethyl)-6-(difluoromethyl)-4-nitropyridin-3-ol
PubChem CID118832789
Molecular FormulaC7H5BrF2N2O3
Molecular Weight283.03 g/mol
Exact Mass281.95
IUPAC Name2-(bromomethyl)-6-(difluoromethyl)-4-nitropyridin-3-ol
SMILESO=[N+]([O-])c1cc(C(F)F)nc(CBr)c1O
InChIInChI=1S/C7H5BrF2N2O3/c8-2-4-6(13)5(12(14)15)1-3(11-4)7(9)10/h1,7,13H,2H2
InChIKeyHUBXCHKKXAISAN-UHFFFAOYSA-N
XLogP2.53
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.03
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

methyl 2-[6-(difluoromethyl)-3-hydroxy-4-nitro-2-pyridinyl]acetate
CID 133103089
6-(difluoromethyl)-3-hydroxy-4-nitropyridine-2-carbaldehyde
CID 130084402
2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine
CID 118838108
6-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-3-amine
CID 130106849
[6-(difluoromethyl)-4-fluoro-3-nitro-2-pyridinyl]methanol
CID 133104599
6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol
CID 130084237
2-[6-(difluoromethyl)-3-methyl-4-nitro-2-pyridinyl]acetonitrile
CID 133099364
3-bromo-6-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130068192
[2-amino-6-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
CID 119006327
6-(difluoromethyl)-2,3-dimethyl-4-nitropyridine
CID 130101216
3-bromo-6-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine
CID 134663698
6-(difluoromethyl)-3-(hydroxymethyl)-4-nitropyridine-2-carbonitrile
CID 130078685

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-(difluoromethyl)-4-nitropyridin-3-ol?
The IUPAC name of 2-(bromomethyl)-6-(difluoromethyl)-4-nitropyridin-3-ol (CID 118832789) is 2-(bromomethyl)-6-(difluoromethyl)-4-nitropyridin-3-ol.
What is the SMILES notation for 2-(bromomethyl)-6-(difluoromethyl)-4-nitropyridin-3-ol?
The canonical SMILES for 2-(bromomethyl)-6-(difluoromethyl)-4-nitropyridin-3-ol is O=[N+]([O-])c1cc(C(F)F)nc(CBr)c1O.
What is the InChIKey of 2-(bromomethyl)-6-(difluoromethyl)-4-nitropyridin-3-ol?
The InChIKey is HUBXCHKKXAISAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2N2O3/c8-2-4-6(13)5(12(14)15)1-3(11-4)7(9)10/h1,7,13H,2H2.
What are the key properties of 2-(bromomethyl)-6-(difluoromethyl)-4-nitropyridin-3-ol?
2-(bromomethyl)-6-(difluoromethyl)-4-nitropyridin-3-ol has a molecular weight of 283.03 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-(difluoromethyl)-4-nitropyridin-3-ol is sourced from PubChem (CID 118832789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).