3-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-chloropyridazine

C10H7BrClN3S — CID 104514389

IUPAC3-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-chloropyridazine
SMILESClc1ccc(CSc2ncccc2Br)nn1
InChIInChI=1S/C10H7BrClN3S/c11-8-2-1-5-13-10(8)16-6-7-3-4-9(12)15-14-7/h1-5H,6H2
InChIKeyFSDZJVWUZYIZGW-UHFFFAOYSA-N
MW316.61 g/mol
LogP3.58
Rot. Bonds3

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

3-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-chloropyridazine (PubChem CID 104514389) has the molecular formula C10H7BrClN3S and a molecular weight of 316.61 g/mol. Its IUPAC name is 3-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-chloropyridazine.

Molecular Properties

Compound Name3-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-chloropyridazine
PubChem CID104514389
Molecular FormulaC10H7BrClN3S
Molecular Weight316.61 g/mol
Exact Mass314.92
IUPAC Name3-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-chloropyridazine
SMILESClc1ccc(CSc2ncccc2Br)nn1
InChIInChI=1S/C10H7BrClN3S/c11-8-2-1-5-13-10(8)16-6-7-3-4-9(12)15-14-7/h1-5H,6H2
InChIKeyFSDZJVWUZYIZGW-UHFFFAOYSA-N
XLogP3.58
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.61
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyrazin-2-amine
CID 103060224
[4-[(3-bromo-2-pyridinyl)sulfanylmethyl]-3-chlorophenyl]methanamine
CID 102669152
2-(2-bromophenyl)-5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 30765253
3-bromo-2-(methylsulfanylmethylsulfanyl)pyridine
CID 130835217
3-bromo-2-prop-2-enylsulfanylpyridine
CID 97182206
3-chloro-6-[(3-chlorophenyl)sulfanylmethyl]pyridazine
CID 104514370
6-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909693
[2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-4-fluorophenyl]methanamine
CID 64765590
4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenol
CID 104514355
2-[(3-bromo-2-pyridinyl)sulfanylmethyl]prop-2-ene-1-thiol
CID 103074209
1-[(3-bromo-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine
CID 64631646
4-[(3-bromo-2-pyridinyl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 119041880

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-chloropyridazine?
The IUPAC name of 3-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-chloropyridazine (CID 104514389) is 3-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-chloropyridazine.
What is the SMILES notation for 3-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-chloropyridazine?
The canonical SMILES for 3-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-chloropyridazine is Clc1ccc(CSc2ncccc2Br)nn1.
What is the InChIKey of 3-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-chloropyridazine?
The InChIKey is FSDZJVWUZYIZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3S/c11-8-2-1-5-13-10(8)16-6-7-3-4-9(12)15-14-7/h1-5H,6H2.
What are the key properties of 3-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-chloropyridazine?
3-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-chloropyridazine has a molecular weight of 316.61 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-chloropyridazine is sourced from PubChem (CID 104514389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).