(3-chloro-6-methylsulfonyl-2-pyridinyl)methanol

C7H8ClNO3S — CID 122623171

IUPAC(3-chloro-6-methylsulfonyl-2-pyridinyl)methanol
SMILESCS(=O)(=O)c1ccc(Cl)c(CO)n1
InChIInChI=1S/C7H8ClNO3S/c1-13(11,12)7-3-2-5(8)6(4-10)9-7/h2-3,10H,4H2,1H3
InChIKeyUHXNQGQKVCLUQH-UHFFFAOYSA-N
MW221.66 g/mol
LogP0.63
Rot. Bonds2

About (3-chloro-6-methylsulfonyl-2-pyridinyl)methanol

(3-chloro-6-methylsulfonyl-2-pyridinyl)methanol (PubChem CID 122623171) has the molecular formula C7H8ClNO3S and a molecular weight of 221.66 g/mol. Its IUPAC name is (3-chloro-6-methylsulfonyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(3-chloro-6-methylsulfonyl-2-pyridinyl)methanol
PubChem CID122623171
Molecular FormulaC7H8ClNO3S
Molecular Weight221.66 g/mol
Exact Mass220.99
IUPAC Name(3-chloro-6-methylsulfonyl-2-pyridinyl)methanol
SMILESCS(=O)(=O)c1ccc(Cl)c(CO)n1
InChIInChI=1S/C7H8ClNO3S/c1-13(11,12)7-3-2-5(8)6(4-10)9-7/h2-3,10H,4H2,1H3
InChIKeyUHXNQGQKVCLUQH-UHFFFAOYSA-N
XLogP0.63
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-methylsulfonyl-2-pyridinyl)methanol?
The IUPAC name of (3-chloro-6-methylsulfonyl-2-pyridinyl)methanol (CID 122623171) is (3-chloro-6-methylsulfonyl-2-pyridinyl)methanol.
What is the SMILES notation for (3-chloro-6-methylsulfonyl-2-pyridinyl)methanol?
The canonical SMILES for (3-chloro-6-methylsulfonyl-2-pyridinyl)methanol is CS(=O)(=O)c1ccc(Cl)c(CO)n1.
What is the InChIKey of (3-chloro-6-methylsulfonyl-2-pyridinyl)methanol?
The InChIKey is UHXNQGQKVCLUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO3S/c1-13(11,12)7-3-2-5(8)6(4-10)9-7/h2-3,10H,4H2,1H3.
What are the key properties of (3-chloro-6-methylsulfonyl-2-pyridinyl)methanol?
(3-chloro-6-methylsulfonyl-2-pyridinyl)methanol has a molecular weight of 221.66 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-methylsulfonyl-2-pyridinyl)methanol is sourced from PubChem (CID 122623171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).