[2,6-difluoro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]methanol

C9H7F2N3OS — CID 67320433

IUPAC[2,6-difluoro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]methanol
SMILESCc1nnc(-c2cc(CO)c(F)nc2F)s1
InChIInChI=1S/C9H7F2N3OS/c1-4-13-14-9(16-4)6-2-5(3-15)7(10)12-8(6)11/h2,15H,3H2,1H3
InChIKeySTROSFCDMNBGFV-UHFFFAOYSA-N
MW243.24 g/mol
LogP1.68
Rot. Bonds2

About [2,6-difluoro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]methanol

[2,6-difluoro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]methanol (PubChem CID 67320433) has the molecular formula C9H7F2N3OS and a molecular weight of 243.24 g/mol. Its IUPAC name is [2,6-difluoro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2,6-difluoro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]methanol
PubChem CID67320433
Molecular FormulaC9H7F2N3OS
Molecular Weight243.24 g/mol
Exact Mass243.03
IUPAC Name[2,6-difluoro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]methanol
SMILESCc1nnc(-c2cc(CO)c(F)nc2F)s1
InChIInChI=1S/C9H7F2N3OS/c1-4-13-14-9(16-4)6-2-5(3-15)7(10)12-8(6)11/h2,15H,3H2,1H3
InChIKeySTROSFCDMNBGFV-UHFFFAOYSA-N
XLogP1.68
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,6-difluoro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [2,6-difluoro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]methanol (CID 67320433) is [2,6-difluoro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [2,6-difluoro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [2,6-difluoro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]methanol is Cc1nnc(-c2cc(CO)c(F)nc2F)s1.
What is the InChIKey of [2,6-difluoro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]methanol?
The InChIKey is STROSFCDMNBGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3OS/c1-4-13-14-9(16-4)6-2-5(3-15)7(10)12-8(6)11/h2,15H,3H2,1H3.
What are the key properties of [2,6-difluoro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]methanol?
[2,6-difluoro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]methanol has a molecular weight of 243.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-difluoro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 67320433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).