[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanol

C7H5Br2F2NO — CID 118803957

IUPAC[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanol
SMILESOCc1cc(C(F)F)c(Br)c(Br)n1
InChIInChI=1S/C7H5Br2F2NO/c8-5-4(7(10)11)1-3(2-13)12-6(5)9/h1,7,13H,2H2
InChIKeyAPRDKGMLGIXIPC-UHFFFAOYSA-N
MW316.93 g/mol
LogP3.04
Rot. Bonds2

About [5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanol

[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanol (PubChem CID 118803957) has the molecular formula C7H5Br2F2NO and a molecular weight of 316.93 g/mol. Its IUPAC name is [5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanol
PubChem CID118803957
Molecular FormulaC7H5Br2F2NO
Molecular Weight316.93 g/mol
Exact Mass314.87
IUPAC Name[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanol
SMILESOCc1cc(C(F)F)c(Br)c(Br)n1
InChIInChI=1S/C7H5Br2F2NO/c8-5-4(7(10)11)1-3(2-13)12-6(5)9/h1,7,13H,2H2
InChIKeyAPRDKGMLGIXIPC-UHFFFAOYSA-N
XLogP3.04
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.93
LogP ≤ 53.04
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

[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanamine
CID 130098957
[6-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol
CID 119022962
[2,6-dibromo-5-(difluoromethyl)-3-pyridinyl]methanol
CID 119006650
[6-bromo-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanol
CID 119008071
4-(difluoromethyl)-6-(hydroxymethyl)-2-methylpyridin-3-ol
CID 118834562
[4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanol
CID 118846106
[6-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 130073268
[4-(difluoromethyl)-5-iodo-6-methyl-2-pyridinyl]methanol
CID 118800735
[6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 130086878
[6-(aminomethyl)-4-(difluoromethyl)-5-methyl-2-pyridinyl]methanol
CID 130088446
4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130076168
[4-(difluoromethyl)-6-methoxy-5-methyl-2-pyridinyl]methanol
CID 118806611

Frequently Asked Questions

What is the IUPAC name of [5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanol (CID 118803957) is [5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanol is OCc1cc(C(F)F)c(Br)c(Br)n1.
What is the InChIKey of [5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanol?
The InChIKey is APRDKGMLGIXIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2F2NO/c8-5-4(7(10)11)1-3(2-13)12-6(5)9/h1,7,13H,2H2.
What are the key properties of [5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanol?
[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanol has a molecular weight of 316.93 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 118803957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).