[2-chloro-6-(sulfanylamino)-4-pyridinyl]methanol

C6H7ClN2OS — CID 143407932

IUPAC[2-chloro-6-(sulfanylamino)-4-pyridinyl]methanol
SMILESOCc1cc(Cl)nc(NS)c1
InChIInChI=1S/C6H7ClN2OS/c7-5-1-4(3-10)2-6(8-5)9-11/h1-2,10-11H,3H2,(H,8,9)
InChIKeyLLIKOMADAYXMSV-UHFFFAOYSA-N
MW190.66 g/mol
LogP1.48
Rot. Bonds2

About [2-chloro-6-(sulfanylamino)-4-pyridinyl]methanol

[2-chloro-6-(sulfanylamino)-4-pyridinyl]methanol (PubChem CID 143407932) has the molecular formula C6H7ClN2OS and a molecular weight of 190.66 g/mol. Its IUPAC name is [2-chloro-6-(sulfanylamino)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-(sulfanylamino)-4-pyridinyl]methanol
PubChem CID143407932
Molecular FormulaC6H7ClN2OS
Molecular Weight190.66 g/mol
Exact Mass190.00
IUPAC Name[2-chloro-6-(sulfanylamino)-4-pyridinyl]methanol
SMILESOCc1cc(Cl)nc(NS)c1
InChIInChI=1S/C6H7ClN2OS/c7-5-1-4(3-10)2-6(8-5)9-11/h1-2,10-11H,3H2,(H,8,9)
InChIKeyLLIKOMADAYXMSV-UHFFFAOYSA-N
XLogP1.48
TPSA45.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.66
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(sulfanylamino)-4-pyridinyl]methanol?
The IUPAC name of [2-chloro-6-(sulfanylamino)-4-pyridinyl]methanol (CID 143407932) is [2-chloro-6-(sulfanylamino)-4-pyridinyl]methanol.
What is the SMILES notation for [2-chloro-6-(sulfanylamino)-4-pyridinyl]methanol?
The canonical SMILES for [2-chloro-6-(sulfanylamino)-4-pyridinyl]methanol is OCc1cc(Cl)nc(NS)c1.
What is the InChIKey of [2-chloro-6-(sulfanylamino)-4-pyridinyl]methanol?
The InChIKey is LLIKOMADAYXMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2OS/c7-5-1-4(3-10)2-6(8-5)9-11/h1-2,10-11H,3H2,(H,8,9).
What are the key properties of [2-chloro-6-(sulfanylamino)-4-pyridinyl]methanol?
[2-chloro-6-(sulfanylamino)-4-pyridinyl]methanol has a molecular weight of 190.66 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(sulfanylamino)-4-pyridinyl]methanol is sourced from PubChem (CID 143407932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).