1-(4-bromo-5-methyl-2-pyridinyl)-2,2,2-trifluoroethanol

C8H7BrF3NO — CID 67976752

IUPAC1-(4-bromo-5-methyl-2-pyridinyl)-2,2,2-trifluoroethanol
SMILESCc1cnc(C(O)C(F)(F)F)cc1Br
InChIInChI=1S/C8H7BrF3NO/c1-4-3-13-6(2-5(4)9)7(14)8(10,11)12/h2-3,7,14H,1H3
InChIKeyVXBVBIPROLZSHF-UHFFFAOYSA-N
MW270.05 g/mol
LogP2.75
Rot. Bonds1

About 1-(4-bromo-5-methyl-2-pyridinyl)-2,2,2-trifluoroethanol

1-(4-bromo-5-methyl-2-pyridinyl)-2,2,2-trifluoroethanol (PubChem CID 67976752) has the molecular formula C8H7BrF3NO and a molecular weight of 270.05 g/mol. Its IUPAC name is 1-(4-bromo-5-methyl-2-pyridinyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(4-bromo-5-methyl-2-pyridinyl)-2,2,2-trifluoroethanol
PubChem CID67976752
Molecular FormulaC8H7BrF3NO
Molecular Weight270.05 g/mol
Exact Mass268.97
IUPAC Name1-(4-bromo-5-methyl-2-pyridinyl)-2,2,2-trifluoroethanol
SMILESCc1cnc(C(O)C(F)(F)F)cc1Br
InChIInChI=1S/C8H7BrF3NO/c1-4-3-13-6(2-5(4)9)7(14)8(10,11)12/h2-3,7,14H,1H3
InChIKeyVXBVBIPROLZSHF-UHFFFAOYSA-N
XLogP2.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methyl-2-pyridinyl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(4-bromo-5-methyl-2-pyridinyl)-2,2,2-trifluoroethanol (CID 67976752) is 1-(4-bromo-5-methyl-2-pyridinyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(4-bromo-5-methyl-2-pyridinyl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(4-bromo-5-methyl-2-pyridinyl)-2,2,2-trifluoroethanol is Cc1cnc(C(O)C(F)(F)F)cc1Br.
What is the InChIKey of 1-(4-bromo-5-methyl-2-pyridinyl)-2,2,2-trifluoroethanol?
The InChIKey is VXBVBIPROLZSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO/c1-4-3-13-6(2-5(4)9)7(14)8(10,11)12/h2-3,7,14H,1H3.
What are the key properties of 1-(4-bromo-5-methyl-2-pyridinyl)-2,2,2-trifluoroethanol?
1-(4-bromo-5-methyl-2-pyridinyl)-2,2,2-trifluoroethanol has a molecular weight of 270.05 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methyl-2-pyridinyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 67976752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).