[4-chloro-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol

C11H7ClFN5O — CID 155220135

IUPAC[4-chloro-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol
SMILESOCc1cnn2c(Cl)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C11H7ClFN5O/c12-11-17-9(6-1-8(13)4-14-2-6)16-10-7(5-19)3-15-18(10)11/h1-4,19H,5H2
InChIKeyWAGXFWZSFNAPNE-UHFFFAOYSA-N
MW279.66 g/mol
LogP1.47
Rot. Bonds2

About [4-chloro-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol

[4-chloro-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol (PubChem CID 155220135) has the molecular formula C11H7ClFN5O and a molecular weight of 279.66 g/mol. Its IUPAC name is [4-chloro-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol
PubChem CID155220135
Molecular FormulaC11H7ClFN5O
Molecular Weight279.66 g/mol
Exact Mass279.03
IUPAC Name[4-chloro-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol
SMILESOCc1cnn2c(Cl)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C11H7ClFN5O/c12-11-17-9(6-1-8(13)4-14-2-6)16-10-7(5-19)3-15-18(10)11/h1-4,19H,5H2
InChIKeyWAGXFWZSFNAPNE-UHFFFAOYSA-N
XLogP1.47
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.66
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol?
The IUPAC name of [4-chloro-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol (CID 155220135) is [4-chloro-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol.
What is the SMILES notation for [4-chloro-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol?
The canonical SMILES for [4-chloro-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol is OCc1cnn2c(Cl)nc(-c3cncc(F)c3)nc12.
What is the InChIKey of [4-chloro-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol?
The InChIKey is WAGXFWZSFNAPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN5O/c12-11-17-9(6-1-8(13)4-14-2-6)16-10-7(5-19)3-15-18(10)11/h1-4,19H,5H2.
What are the key properties of [4-chloro-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol?
[4-chloro-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol has a molecular weight of 279.66 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol is sourced from PubChem (CID 155220135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).