3-fluoro-N'-phenylsulfanylpyridine-2-carbohydrazide

C12H10FN3OS — CID 142366561

IUPAC3-fluoro-N'-phenylsulfanylpyridine-2-carbohydrazide
SMILESO=C(NNSc1ccccc1)c1ncccc1F
InChIInChI=1S/C12H10FN3OS/c13-10-7-4-8-14-11(10)12(17)15-16-18-9-5-2-1-3-6-9/h1-8,16H,(H,15,17)
InChIKeyNGTMOPRTTGAUHJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.16
Rot. Bonds4

About 3-fluoro-N'-phenylsulfanylpyridine-2-carbohydrazide

3-fluoro-N'-phenylsulfanylpyridine-2-carbohydrazide (PubChem CID 142366561) has the molecular formula C12H10FN3OS and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-fluoro-N'-phenylsulfanylpyridine-2-carbohydrazide.

Molecular Properties

Compound Name3-fluoro-N'-phenylsulfanylpyridine-2-carbohydrazide
PubChem CID142366561
Molecular FormulaC12H10FN3OS
Molecular Weight263.30 g/mol
Exact Mass263.05
IUPAC Name3-fluoro-N'-phenylsulfanylpyridine-2-carbohydrazide
SMILESO=C(NNSc1ccccc1)c1ncccc1F
InChIInChI=1S/C12H10FN3OS/c13-10-7-4-8-14-11(10)12(17)15-16-18-9-5-2-1-3-6-9/h1-8,16H,(H,15,17)
InChIKeyNGTMOPRTTGAUHJ-UHFFFAOYSA-N
XLogP2.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-phenylsulfanylpyridine-2-carbohydrazide?
The IUPAC name of 3-fluoro-N'-phenylsulfanylpyridine-2-carbohydrazide (CID 142366561) is 3-fluoro-N'-phenylsulfanylpyridine-2-carbohydrazide.
What is the SMILES notation for 3-fluoro-N'-phenylsulfanylpyridine-2-carbohydrazide?
The canonical SMILES for 3-fluoro-N'-phenylsulfanylpyridine-2-carbohydrazide is O=C(NNSc1ccccc1)c1ncccc1F.
What is the InChIKey of 3-fluoro-N'-phenylsulfanylpyridine-2-carbohydrazide?
The InChIKey is NGTMOPRTTGAUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3OS/c13-10-7-4-8-14-11(10)12(17)15-16-18-9-5-2-1-3-6-9/h1-8,16H,(H,15,17).
What are the key properties of 3-fluoro-N'-phenylsulfanylpyridine-2-carbohydrazide?
3-fluoro-N'-phenylsulfanylpyridine-2-carbohydrazide has a molecular weight of 263.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-phenylsulfanylpyridine-2-carbohydrazide is sourced from PubChem (CID 142366561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).