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

C7H5BrF3NO — CID 119022962

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

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

[6-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol (PubChem CID 119022962) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is [6-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol
PubChem CID119022962
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name[6-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol
SMILESOCc1cc(F)c(C(F)F)c(Br)n1
InChIInChI=1S/C7H5BrF3NO/c8-6-5(7(10)11)4(9)1-3(2-13)12-6/h1,7,13H,2H2
InChIKeyMOWKSEBMPFVICX-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-iodo-2-pyridinyl]methanol
CID 119008071
[4-bromo-5-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol
CID 118838629
ethyl 2-[6-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134663511
[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanol
CID 118803957
6-bromo-5-(difluoromethyl)-4-fluoropyridine-2-carboxamide
CID 119015693
[5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol
CID 130096445
2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine
CID 119005806
6-(bromomethyl)-3-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130080004
[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
[6-(bromomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
CID 130081832

Frequently Asked Questions

What is the IUPAC name of [6-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol?
The IUPAC name of [6-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol (CID 119022962) is [6-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol.
What is the SMILES notation for [6-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol?
The canonical SMILES for [6-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol is OCc1cc(F)c(C(F)F)c(Br)n1.
What is the InChIKey of [6-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol?
The InChIKey is MOWKSEBMPFVICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c8-6-5(7(10)11)4(9)1-3(2-13)12-6/h1,7,13H,2H2.
What are the key properties of [6-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol?
[6-bromo-5-(difluoromethyl)-4-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 [6-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol is sourced from PubChem (CID 119022962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).