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

C7H5BrF2INO — CID 130082625

IUPAC2-(bromomethyl)-5-(difluoromethyl)-6-iodopyridin-3-ol
SMILESOc1cc(C(F)F)c(I)nc1CBr
InChIInChI=1S/C7H5BrF2INO/c8-2-4-5(13)1-3(6(9)10)7(11)12-4/h1,6,13H,2H2
InChIKeyVHXNYOSYAKGLBA-UHFFFAOYSA-N
MW363.93 g/mol
LogP3.22
Rot. Bonds2

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

2-(bromomethyl)-5-(difluoromethyl)-6-iodopyridin-3-ol (PubChem CID 130082625) has the molecular formula C7H5BrF2INO and a molecular weight of 363.93 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(difluoromethyl)-6-iodopyridin-3-ol.

Molecular Properties

Compound Name2-(bromomethyl)-5-(difluoromethyl)-6-iodopyridin-3-ol
PubChem CID130082625
Molecular FormulaC7H5BrF2INO
Molecular Weight363.93 g/mol
Exact Mass362.86
IUPAC Name2-(bromomethyl)-5-(difluoromethyl)-6-iodopyridin-3-ol
SMILESOc1cc(C(F)F)c(I)nc1CBr
InChIInChI=1S/C7H5BrF2INO/c8-2-4-5(13)1-3(6(9)10)7(11)12-4/h1,6,13H,2H2
InChIKeyVHXNYOSYAKGLBA-UHFFFAOYSA-N
XLogP3.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(bromomethyl)-5-(difluoromethyl)-6-iodopyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 130084993
5-(difluoromethyl)-6-iodo-2-methylpyridin-3-ol
CID 130082529
6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol
CID 130084237
2-(bromomethyl)-4-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 118815747
5-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-carbaldehyde
CID 130082840
2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-ol
CID 118832807
methyl 6-(bromomethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 130084949
6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine
CID 130109492
ethyl 2-[2-(bromomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133101225
6-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde
CID 130081877
2-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-ol
CID 118808608
6-chloro-5-(difluoromethyl)-2-(hydroxymethyl)pyridin-3-ol
CID 119001935

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-(difluoromethyl)-6-iodopyridin-3-ol?
The IUPAC name of 2-(bromomethyl)-5-(difluoromethyl)-6-iodopyridin-3-ol (CID 130082625) is 2-(bromomethyl)-5-(difluoromethyl)-6-iodopyridin-3-ol.
What is the SMILES notation for 2-(bromomethyl)-5-(difluoromethyl)-6-iodopyridin-3-ol?
The canonical SMILES for 2-(bromomethyl)-5-(difluoromethyl)-6-iodopyridin-3-ol is Oc1cc(C(F)F)c(I)nc1CBr.
What is the InChIKey of 2-(bromomethyl)-5-(difluoromethyl)-6-iodopyridin-3-ol?
The InChIKey is VHXNYOSYAKGLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2INO/c8-2-4-5(13)1-3(6(9)10)7(11)12-4/h1,6,13H,2H2.
What are the key properties of 2-(bromomethyl)-5-(difluoromethyl)-6-iodopyridin-3-ol?
2-(bromomethyl)-5-(difluoromethyl)-6-iodopyridin-3-ol has a molecular weight of 363.93 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(difluoromethyl)-6-iodopyridin-3-ol is sourced from PubChem (CID 130082625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).