[6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol

C7H5BrF2INO — CID 130068357

IUPAC[6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol
SMILESOCc1nc(Br)cc(C(F)F)c1I
InChIInChI=1S/C7H5BrF2INO/c8-5-1-3(7(9)10)6(11)4(2-13)12-5/h1,7,13H,2H2
InChIKeyBFLPKETUZHJJKG-UHFFFAOYSA-N
MW363.93 g/mol
LogP2.88
Rot. Bonds2

About [6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol

[6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol (PubChem CID 130068357) has the molecular formula C7H5BrF2INO and a molecular weight of 363.93 g/mol. Its IUPAC name is [6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol
PubChem CID130068357
Molecular FormulaC7H5BrF2INO
Molecular Weight363.93 g/mol
Exact Mass362.86
IUPAC Name[6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol
SMILESOCc1nc(Br)cc(C(F)F)c1I
InChIInChI=1S/C7H5BrF2INO/c8-5-1-3(7(9)10)6(11)4(2-13)12-5/h1,7,13H,2H2
InChIKeyBFLPKETUZHJJKG-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[6-bromo-4-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
CID 130069331
[6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol
CID 130068890
6-bromo-4-(difluoromethyl)-3-iodopyridin-2-amine
CID 119005201
6-bromo-2-chloro-4-(difluoromethyl)-3-iodopyridine
CID 130107870
[6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 130086878
6-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130068422
[3-(difluoromethyl)-5-fluoro-6-iodo-2-pyridinyl]methanol
CID 130080196
6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine
CID 130109492
[6-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 130073268
[5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol
CID 130080189
[4-(difluoromethyl)-5-iodo-6-methyl-2-pyridinyl]methanol
CID 118800735
4-(difluoromethyl)-6-(hydroxymethyl)-3-iodo-1H-pyridin-2-one
CID 118835424

Frequently Asked Questions

What is the IUPAC name of [6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol?
The IUPAC name of [6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol (CID 130068357) is [6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol.
What is the SMILES notation for [6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol?
The canonical SMILES for [6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol is OCc1nc(Br)cc(C(F)F)c1I.
What is the InChIKey of [6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol?
The InChIKey is BFLPKETUZHJJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2INO/c8-5-1-3(7(9)10)6(11)4(2-13)12-5/h1,7,13H,2H2.
What are the key properties of [6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol?
[6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol has a molecular weight of 363.93 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol is sourced from PubChem (CID 130068357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).