6-(3-fluorophenoxy)pyridine-2-carbothioamide

C12H9FN2OS — CID 64593749

IUPAC6-(3-fluorophenoxy)pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(Oc2cccc(F)c2)n1
InChIInChI=1S/C12H9FN2OS/c13-8-3-1-4-9(7-8)16-11-6-2-5-10(15-11)12(14)17/h1-7H,(H2,14,17)
InChIKeyPHGGQCMZDVVMFI-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.65
Rot. Bonds3

About 6-(3-fluorophenoxy)pyridine-2-carbothioamide

6-(3-fluorophenoxy)pyridine-2-carbothioamide (PubChem CID 64593749) has the molecular formula C12H9FN2OS and a molecular weight of 248.28 g/mol. Its IUPAC name is 6-(3-fluorophenoxy)pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-(3-fluorophenoxy)pyridine-2-carbothioamide
PubChem CID64593749
Molecular FormulaC12H9FN2OS
Molecular Weight248.28 g/mol
Exact Mass248.04
IUPAC Name6-(3-fluorophenoxy)pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(Oc2cccc(F)c2)n1
InChIInChI=1S/C12H9FN2OS/c13-8-3-1-4-9(7-8)16-11-6-2-5-10(15-11)12(14)17/h1-7H,(H2,14,17)
InChIKeyPHGGQCMZDVVMFI-UHFFFAOYSA-N
XLogP2.65
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-pyridin-3-yloxypyridine-2-carbothioamide
CID 64594143
6-(6-bromonaphthalen-2-yl)oxypyridine-2-carbothioamide
CID 64594328
6-[3-(methoxymethyl)phenoxy]pyridine-2-carbothioamide
CID 64593563
6-(3-fluorophenoxy)pyridine-2-carbaldehyde
CID 12879152
6-(2-methylphenoxy)pyridine-2-carbothioamide
CID 64596092
6-(2-bromo-4-methoxyphenoxy)pyridine-2-carbothioamide
CID 104707183
4-(3-fluorophenoxy)-2,6-dimethylpyridine-3-carbothioamide
CID 81054224
6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbothioamide
CID 81342313
[3-chloro-6-(3-fluorophenoxy)-2-pyridinyl]methanamine
CID 62322532
2-chloro-4-(3-fluorophenoxy)pyrimidine
CID 53486075
4-fluoro-6-(3-fluorophenoxy)pyrimidine
CID 115416111
6-(2-methoxy-4-methylphenoxy)pyridine-2-carbothioamide
CID 64595504

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenoxy)pyridine-2-carbothioamide?
The IUPAC name of 6-(3-fluorophenoxy)pyridine-2-carbothioamide (CID 64593749) is 6-(3-fluorophenoxy)pyridine-2-carbothioamide.
What is the SMILES notation for 6-(3-fluorophenoxy)pyridine-2-carbothioamide?
The canonical SMILES for 6-(3-fluorophenoxy)pyridine-2-carbothioamide is NC(=S)c1cccc(Oc2cccc(F)c2)n1.
What is the InChIKey of 6-(3-fluorophenoxy)pyridine-2-carbothioamide?
The InChIKey is PHGGQCMZDVVMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2OS/c13-8-3-1-4-9(7-8)16-11-6-2-5-10(15-11)12(14)17/h1-7H,(H2,14,17).
What are the key properties of 6-(3-fluorophenoxy)pyridine-2-carbothioamide?
6-(3-fluorophenoxy)pyridine-2-carbothioamide has a molecular weight of 248.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenoxy)pyridine-2-carbothioamide is sourced from PubChem (CID 64593749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).