6-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide

C12H11BrN4OS — CID 106909693

IUPAC6-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(CSc2ncccc2Br)n1
InChIInChI=1S/C12H11BrN4OS/c13-9-4-2-6-15-12(9)19-7-8-3-1-5-10(16-8)11(18)17-14/h1-6H,7,14H2,(H,17,18)
InChIKeyIJMQJNRCTXUDEP-UHFFFAOYSA-N
MW339.22 g/mol
LogP2.13
Rot. Bonds4

About 6-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide

6-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide (PubChem CID 106909693) has the molecular formula C12H11BrN4OS and a molecular weight of 339.22 g/mol. Its IUPAC name is 6-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide
PubChem CID106909693
Molecular FormulaC12H11BrN4OS
Molecular Weight339.22 g/mol
Exact Mass337.98
IUPAC Name6-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(CSc2ncccc2Br)n1
InChIInChI=1S/C12H11BrN4OS/c13-9-4-2-6-15-12(9)19-7-8-3-1-5-10(16-8)11(18)17-14/h1-6H,7,14H2,(H,17,18)
InChIKeyIJMQJNRCTXUDEP-UHFFFAOYSA-N
XLogP2.13
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[(5-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909676
6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbohydrazide
CID 106909598
6-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909697
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909736
6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909660
6-[(4-nitrophenyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909631
5-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyrazin-2-amine
CID 103060224
6-(pyridin-3-yloxymethyl)pyridine-2-carbohydrazide
CID 106908908
6-(oxetan-3-ylsulfanylmethyl)pyridine-2-carbohydrazide
CID 106909718
3-[(3-bromo-2-pyridinyl)sulfanyl]propanoic acid
CID 61373345
[6-[(3-bromo-2-pyridinyl)sulfanyl]-2-pyridinyl]methanamine
CID 64589786
6-[(2-amino-5-methoxyphenyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909719

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide (CID 106909693) is 6-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide is NNC(=O)c1cccc(CSc2ncccc2Br)n1.
What is the InChIKey of 6-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide?
The InChIKey is IJMQJNRCTXUDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4OS/c13-9-4-2-6-15-12(9)19-7-8-3-1-5-10(16-8)11(18)17-14/h1-6H,7,14H2,(H,17,18).
What are the key properties of 6-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide?
6-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide has a molecular weight of 339.22 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106909693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).