[3-chloro-6-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanol

C10H10ClN3O3S — CID 165480660

IUPAC[3-chloro-6-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanol
SMILESCS(=O)(=O)c1cnn(-c2ccc(Cl)c(CO)n2)c1
InChIInChI=1S/C10H10ClN3O3S/c1-18(16,17)7-4-12-14(5-7)10-3-2-8(11)9(6-15)13-10/h2-5,15H,6H2,1H3
InChIKeyBMKUGVXVJKWFJY-UHFFFAOYSA-N
MW287.73 g/mol
LogP0.82
Rot. Bonds3

About [3-chloro-6-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanol

[3-chloro-6-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanol (PubChem CID 165480660) has the molecular formula C10H10ClN3O3S and a molecular weight of 287.73 g/mol. Its IUPAC name is [3-chloro-6-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-6-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanol
PubChem CID165480660
Molecular FormulaC10H10ClN3O3S
Molecular Weight287.73 g/mol
Exact Mass287.01
IUPAC Name[3-chloro-6-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanol
SMILESCS(=O)(=O)c1cnn(-c2ccc(Cl)c(CO)n2)c1
InChIInChI=1S/C10H10ClN3O3S/c1-18(16,17)7-4-12-14(5-7)10-3-2-8(11)9(6-15)13-10/h2-5,15H,6H2,1H3
InChIKeyBMKUGVXVJKWFJY-UHFFFAOYSA-N
XLogP0.82
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-6-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanol (CID 165480660) is [3-chloro-6-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-6-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-6-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanol is CS(=O)(=O)c1cnn(-c2ccc(Cl)c(CO)n2)c1.
What is the InChIKey of [3-chloro-6-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanol?
The InChIKey is BMKUGVXVJKWFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3S/c1-18(16,17)7-4-12-14(5-7)10-3-2-8(11)9(6-15)13-10/h2-5,15H,6H2,1H3.
What are the key properties of [3-chloro-6-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanol?
[3-chloro-6-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanol has a molecular weight of 287.73 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 165480660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).