[4-bromo-5-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol

C7H5BrF3NO — CID 118838629

IUPAC[4-bromo-5-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol
SMILESOCc1cc(Br)c(C(F)F)c(F)n1
InChIInChI=1S/C7H5BrF3NO/c8-4-1-3(2-13)12-7(11)5(4)6(9)10/h1,6,13H,2H2
InChIKeySOXRYXHUYDSLHI-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.41
Rot. Bonds2

About [4-bromo-5-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol

[4-bromo-5-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol (PubChem CID 118838629) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is [4-bromo-5-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-bromo-5-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol
PubChem CID118838629
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name[4-bromo-5-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol
SMILESOCc1cc(Br)c(C(F)F)c(F)n1
InChIInChI=1S/C7H5BrF3NO/c8-4-1-3(2-13)12-7(11)5(4)6(9)10/h1,6,13H,2H2
InChIKeySOXRYXHUYDSLHI-UHFFFAOYSA-N
XLogP2.41
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.02
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[6-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol
CID 119022962
4-bromo-3-(difluoromethyl)-2,6-difluoropyridine
CID 118806244
4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
CID 118806357
4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride
CID 118800727
[6-bromo-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanol
CID 119008071
4-bromo-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
CID 118811585
[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanol
CID 118803957
[4-bromo-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine
CID 118803186
[4-chloro-5-(difluoromethyl)-6-iodo-2-pyridinyl]methanol
CID 118845138
[5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol
CID 130086168
2,4-dibromo-3-(difluoromethyl)-6-fluoropyridine
CID 118998950
[5-bromo-4-(difluoromethyl)-3-pyridinyl]methanol
CID 130095199

Frequently Asked Questions

What is the IUPAC name of [4-bromo-5-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol?
The IUPAC name of [4-bromo-5-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol (CID 118838629) is [4-bromo-5-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol.
What is the SMILES notation for [4-bromo-5-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol?
The canonical SMILES for [4-bromo-5-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol is OCc1cc(Br)c(C(F)F)c(F)n1.
What is the InChIKey of [4-bromo-5-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol?
The InChIKey is SOXRYXHUYDSLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c8-4-1-3(2-13)12-7(11)5(4)6(9)10/h1,6,13H,2H2.
What are the key properties of [4-bromo-5-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol?
[4-bromo-5-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol has a molecular weight of 256.02 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-5-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol is sourced from PubChem (CID 118838629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).