5-[(4-fluorophenyl)methylsulfonylmethyl]-4-(hydroxymethyl)pyridin-3-ol

C14H14FNO4S — CID 141326711

IUPAC5-[(4-fluorophenyl)methylsulfonylmethyl]-4-(hydroxymethyl)pyridin-3-ol
SMILESO=S(=O)(Cc1ccc(F)cc1)Cc1cncc(O)c1CO
InChIInChI=1S/C14H14FNO4S/c15-12-3-1-10(2-4-12)8-21(19,20)9-11-5-16-6-14(18)13(11)7-17/h1-6,17-18H,7-9H2
InChIKeyUTTOJTZMXKEEPT-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.53
Rot. Bonds5

About 5-[(4-fluorophenyl)methylsulfonylmethyl]-4-(hydroxymethyl)pyridin-3-ol

5-[(4-fluorophenyl)methylsulfonylmethyl]-4-(hydroxymethyl)pyridin-3-ol (PubChem CID 141326711) has the molecular formula C14H14FNO4S and a molecular weight of 311.33 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylsulfonylmethyl]-4-(hydroxymethyl)pyridin-3-ol.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylsulfonylmethyl]-4-(hydroxymethyl)pyridin-3-ol
PubChem CID141326711
Molecular FormulaC14H14FNO4S
Molecular Weight311.33 g/mol
Exact Mass311.06
IUPAC Name5-[(4-fluorophenyl)methylsulfonylmethyl]-4-(hydroxymethyl)pyridin-3-ol
SMILESO=S(=O)(Cc1ccc(F)cc1)Cc1cncc(O)c1CO
InChIInChI=1S/C14H14FNO4S/c15-12-3-1-10(2-4-12)8-21(19,20)9-11-5-16-6-14(18)13(11)7-17/h1-6,17-18H,7-9H2
InChIKeyUTTOJTZMXKEEPT-UHFFFAOYSA-N
XLogP1.53
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylsulfonylmethyl]-4-(hydroxymethyl)pyridin-3-ol?
The IUPAC name of 5-[(4-fluorophenyl)methylsulfonylmethyl]-4-(hydroxymethyl)pyridin-3-ol (CID 141326711) is 5-[(4-fluorophenyl)methylsulfonylmethyl]-4-(hydroxymethyl)pyridin-3-ol.
What is the SMILES notation for 5-[(4-fluorophenyl)methylsulfonylmethyl]-4-(hydroxymethyl)pyridin-3-ol?
The canonical SMILES for 5-[(4-fluorophenyl)methylsulfonylmethyl]-4-(hydroxymethyl)pyridin-3-ol is O=S(=O)(Cc1ccc(F)cc1)Cc1cncc(O)c1CO.
What is the InChIKey of 5-[(4-fluorophenyl)methylsulfonylmethyl]-4-(hydroxymethyl)pyridin-3-ol?
The InChIKey is UTTOJTZMXKEEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4S/c15-12-3-1-10(2-4-12)8-21(19,20)9-11-5-16-6-14(18)13(11)7-17/h1-6,17-18H,7-9H2.
What are the key properties of 5-[(4-fluorophenyl)methylsulfonylmethyl]-4-(hydroxymethyl)pyridin-3-ol?
5-[(4-fluorophenyl)methylsulfonylmethyl]-4-(hydroxymethyl)pyridin-3-ol has a molecular weight of 311.33 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylsulfonylmethyl]-4-(hydroxymethyl)pyridin-3-ol is sourced from PubChem (CID 141326711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).