[4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenyl]methanol

C12H11ClN2OS — CID 104514411

IUPAC[4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenyl]methanol
SMILESOCc1ccc(SCc2ccc(Cl)nn2)cc1
InChIInChI=1S/C12H11ClN2OS/c13-12-6-3-10(14-15-12)8-17-11-4-1-9(7-16)2-5-11/h1-6,16H,7-8H2
InChIKeyNPLZLIYNVCGIBS-UHFFFAOYSA-N
MW266.75 g/mol
LogP2.91
Rot. Bonds4

About [4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenyl]methanol

[4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenyl]methanol (PubChem CID 104514411) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is [4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenyl]methanol
PubChem CID104514411
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name[4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenyl]methanol
SMILESOCc1ccc(SCc2ccc(Cl)nn2)cc1
InChIInChI=1S/C12H11ClN2OS/c13-12-6-3-10(14-15-12)8-17-11-4-1-9(7-16)2-5-11/h1-6,16H,7-8H2
InChIKeyNPLZLIYNVCGIBS-UHFFFAOYSA-N
XLogP2.91
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(5-Chloro-2-fluorophenyl)pyridazin-3-yl]sulfanylethanol
CID 175852013
[4-[6-(Trifluoromethyl)pyridazin-3-yl]sulfanylphenyl]methanol
CID 104068316
[3,5-Dichloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)sulfanylphenyl]methanol
CID 59834488
3-[4-(Hydroxymethyl)phenyl]sulfanyl-5,6-dimethylpyridazine-4-carbonitrile
CID 104068339
[4-(6-Chloropyridazin-3-yl)phenyl]methanol
CID 142744954
2-[3,5-Dichloro-4-(6-methyl-5-propan-2-ylpyridazin-3-yl)sulfanylphenyl]ethanol
CID 143395595
4-Pyridazinemethanol, 3-chloro-6-phenyl-
CID 66523211
[4-(6-Chloropyridazin-3-yl)sulfanylphenyl]methanol
CID 104068222
[4-(6-Methylpyridazin-3-yl)sulfanylphenyl]methanol
CID 104068424
[4-(3,6-Dichloropyridazin-4-yl)sulfanylphenyl]methanol
CID 104068446
[4-[(6-Chloro-2-pyridinyl)methylsulfanyl]phenyl]methanol
CID 104069068
3-Chloro-6-[(4-methylphenyl)sulfanylmethyl]pyridazine
CID 104514303

Frequently Asked Questions

What is the IUPAC name of [4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenyl]methanol?
The IUPAC name of [4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenyl]methanol (CID 104514411) is [4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenyl]methanol.
What is the SMILES notation for [4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenyl]methanol?
The canonical SMILES for [4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenyl]methanol is OCc1ccc(SCc2ccc(Cl)nn2)cc1.
What is the InChIKey of [4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenyl]methanol?
The InChIKey is NPLZLIYNVCGIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c13-12-6-3-10(14-15-12)8-17-11-4-1-9(7-16)2-5-11/h1-6,16H,7-8H2.
What are the key properties of [4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenyl]methanol?
[4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenyl]methanol has a molecular weight of 266.75 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenyl]methanol is sourced from PubChem (CID 104514411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).