[3,5-dibromo-2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methanol

C8H6Br2F3NO2 — CID 58687965

IUPAC[3,5-dibromo-2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methanol
SMILESCOc1nc(C(F)(F)F)c(Br)c(CO)c1Br
InChIInChI=1S/C8H6Br2F3NO2/c1-16-7-5(10)3(2-15)4(9)6(14-7)8(11,12)13/h15H,2H2,1H3
InChIKeyCEBJXRCAMSUMBO-UHFFFAOYSA-N
MW364.94 g/mol
LogP3.13
Rot. Bonds2

About [3,5-dibromo-2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methanol

[3,5-dibromo-2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 58687965) has the molecular formula C8H6Br2F3NO2 and a molecular weight of 364.94 g/mol. Its IUPAC name is [3,5-dibromo-2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3,5-dibromo-2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methanol
PubChem CID58687965
Molecular FormulaC8H6Br2F3NO2
Molecular Weight364.94 g/mol
Exact Mass362.87
IUPAC Name[3,5-dibromo-2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methanol
SMILESCOc1nc(C(F)(F)F)c(Br)c(CO)c1Br
InChIInChI=1S/C8H6Br2F3NO2/c1-16-7-5(10)3(2-15)4(9)6(14-7)8(11,12)13/h15H,2H2,1H3
InChIKeyCEBJXRCAMSUMBO-UHFFFAOYSA-N
XLogP3.13
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.94
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3,5-dibromo-2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of [3,5-dibromo-2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methanol (CID 58687965) is [3,5-dibromo-2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for [3,5-dibromo-2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for [3,5-dibromo-2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methanol is COc1nc(C(F)(F)F)c(Br)c(CO)c1Br.
What is the InChIKey of [3,5-dibromo-2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methanol?
The InChIKey is CEBJXRCAMSUMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2F3NO2/c1-16-7-5(10)3(2-15)4(9)6(14-7)8(11,12)13/h15H,2H2,1H3.
What are the key properties of [3,5-dibromo-2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methanol?
[3,5-dibromo-2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methanol has a molecular weight of 364.94 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dibromo-2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 58687965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).