6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol

C7H5BrF2N2O3 — CID 130084237

IUPAC6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol
SMILESO=[N+]([O-])c1nc(CBr)c(C(F)F)cc1O
InChIInChI=1S/C7H5BrF2N2O3/c8-2-4-3(6(9)10)1-5(13)7(11-4)12(14)15/h1,6,13H,2H2
InChIKeyKBESJCIBQKCXEW-UHFFFAOYSA-N
MW283.03 g/mol
LogP2.53
Rot. Bonds3

About 6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol

6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol (PubChem CID 130084237) has the molecular formula C7H5BrF2N2O3 and a molecular weight of 283.03 g/mol. Its IUPAC name is 6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol.

Molecular Properties

Compound Name6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol
PubChem CID130084237
Molecular FormulaC7H5BrF2N2O3
Molecular Weight283.03 g/mol
Exact Mass281.95
IUPAC Name6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol
SMILESO=[N+]([O-])c1nc(CBr)c(C(F)F)cc1O
InChIInChI=1S/C7H5BrF2N2O3/c8-2-4-3(6(9)10)1-5(13)7(11-4)12(14)15/h1,6,13H,2H2
InChIKeyKBESJCIBQKCXEW-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

5-(bromomethyl)-3-(difluoromethyl)-2-fluoro-6-nitropyridine
CID 130081415
2-(bromomethyl)-5-(difluoromethyl)-6-iodopyridin-3-ol
CID 130082625
5-bromo-6-(difluoromethyl)-2-nitropyridin-3-ol
CID 130110130
2-[6-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 130084993
6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-nitropyridine
CID 130069737
2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carboxylic acid
CID 118826321
2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride
CID 118843487
5-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbaldehyde
CID 130084419
5-(difluoromethyl)-6-(hydroxymethyl)-2-nitropyridine-3-carbonitrile
CID 130078702
[5-chloro-3-(difluoromethyl)-6-nitro-2-pyridinyl]methanamine
CID 118808844
2-(bromomethyl)-6-(difluoromethyl)-4-nitropyridin-3-ol
CID 118832789
2-(chloromethyl)-3-(difluoromethyl)-5-iodo-6-nitropyridine
CID 118826854

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol?
The IUPAC name of 6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol (CID 130084237) is 6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol.
What is the SMILES notation for 6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol?
The canonical SMILES for 6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol is O=[N+]([O-])c1nc(CBr)c(C(F)F)cc1O.
What is the InChIKey of 6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol?
The InChIKey is KBESJCIBQKCXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2N2O3/c8-2-4-3(6(9)10)1-5(13)7(11-4)12(14)15/h1,6,13H,2H2.
What are the key properties of 6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol?
6-(bromomethyl)-5-(difluoromethyl)-2-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 6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol is sourced from PubChem (CID 130084237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).