4-chloro-3-fluoro-2-(5-methylsulfonyl-3-pyridinyl)phenol

C12H9ClFNO3S — CID 173380067

IUPAC4-chloro-3-fluoro-2-(5-methylsulfonyl-3-pyridinyl)phenol
SMILESCS(=O)(=O)c1cncc(-c2c(O)ccc(Cl)c2F)c1
InChIInChI=1S/C12H9ClFNO3S/c1-19(17,18)8-4-7(5-15-6-8)11-10(16)3-2-9(13)12(11)14/h2-6,16H,1H3
InChIKeyLAVKMMIGZRXQDB-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.65
Rot. Bonds2

About 4-chloro-3-fluoro-2-(5-methylsulfonyl-3-pyridinyl)phenol

4-chloro-3-fluoro-2-(5-methylsulfonyl-3-pyridinyl)phenol (PubChem CID 173380067) has the molecular formula C12H9ClFNO3S and a molecular weight of 301.73 g/mol. Its IUPAC name is 4-chloro-3-fluoro-2-(5-methylsulfonyl-3-pyridinyl)phenol.

Molecular Properties

Compound Name4-chloro-3-fluoro-2-(5-methylsulfonyl-3-pyridinyl)phenol
PubChem CID173380067
Molecular FormulaC12H9ClFNO3S
Molecular Weight301.73 g/mol
Exact Mass301.00
IUPAC Name4-chloro-3-fluoro-2-(5-methylsulfonyl-3-pyridinyl)phenol
SMILESCS(=O)(=O)c1cncc(-c2c(O)ccc(Cl)c2F)c1
InChIInChI=1S/C12H9ClFNO3S/c1-19(17,18)8-4-7(5-15-6-8)11-10(16)3-2-9(13)12(11)14/h2-6,16H,1H3
InChIKeyLAVKMMIGZRXQDB-UHFFFAOYSA-N
XLogP2.65
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-2-(5-methylsulfonyl-3-pyridinyl)phenol?
The IUPAC name of 4-chloro-3-fluoro-2-(5-methylsulfonyl-3-pyridinyl)phenol (CID 173380067) is 4-chloro-3-fluoro-2-(5-methylsulfonyl-3-pyridinyl)phenol.
What is the SMILES notation for 4-chloro-3-fluoro-2-(5-methylsulfonyl-3-pyridinyl)phenol?
The canonical SMILES for 4-chloro-3-fluoro-2-(5-methylsulfonyl-3-pyridinyl)phenol is CS(=O)(=O)c1cncc(-c2c(O)ccc(Cl)c2F)c1.
What is the InChIKey of 4-chloro-3-fluoro-2-(5-methylsulfonyl-3-pyridinyl)phenol?
The InChIKey is LAVKMMIGZRXQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO3S/c1-19(17,18)8-4-7(5-15-6-8)11-10(16)3-2-9(13)12(11)14/h2-6,16H,1H3.
What are the key properties of 4-chloro-3-fluoro-2-(5-methylsulfonyl-3-pyridinyl)phenol?
4-chloro-3-fluoro-2-(5-methylsulfonyl-3-pyridinyl)phenol has a molecular weight of 301.73 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-2-(5-methylsulfonyl-3-pyridinyl)phenol is sourced from PubChem (CID 173380067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).