[1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol

C10H6BrClF3N3O — CID 65349562

IUPAC[1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1c(C(F)(F)F)nn(-c2ccc(Br)cn2)c1Cl
InChIInChI=1S/C10H6BrClF3N3O/c11-5-1-2-7(16-3-5)18-9(12)6(4-19)8(17-18)10(13,14)15/h1-3,19H,4H2
InChIKeyVYPUXLXRZCUOIZ-UHFFFAOYSA-N
MW356.53 g/mol
LogP3.19
Rot. Bonds2

About [1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol

[1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 65349562) has the molecular formula C10H6BrClF3N3O and a molecular weight of 356.53 g/mol. Its IUPAC name is [1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID65349562
Molecular FormulaC10H6BrClF3N3O
Molecular Weight356.53 g/mol
Exact Mass354.93
IUPAC Name[1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1c(C(F)(F)F)nn(-c2ccc(Br)cn2)c1Cl
InChIInChI=1S/C10H6BrClF3N3O/c11-5-1-2-7(16-3-5)18-9(12)6(4-19)8(17-18)10(13,14)15/h1-3,19H,4H2
InChIKeyVYPUXLXRZCUOIZ-UHFFFAOYSA-N
XLogP3.19
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.53
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol (CID 65349562) is [1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol is OCc1c(C(F)(F)F)nn(-c2ccc(Br)cn2)c1Cl.
What is the InChIKey of [1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is VYPUXLXRZCUOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClF3N3O/c11-5-1-2-7(16-3-5)18-9(12)6(4-19)8(17-18)10(13,14)15/h1-3,19H,4H2.
What are the key properties of [1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol?
[1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 356.53 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 65349562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).