3-[(5-chloropyridazin-3-yl)methyl]phenol

C11H9ClN2O — CID 117106583

IUPAC3-[(5-chloropyridazin-3-yl)methyl]phenol
SMILESOc1cccc(Cc2cc(Cl)cnn2)c1
InChIInChI=1S/C11H9ClN2O/c12-9-6-10(14-13-7-9)4-8-2-1-3-11(15)5-8/h1-3,5-7,15H,4H2
InChIKeyYCVOUPLTRANOMN-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.43
Rot. Bonds2

About 3-[(5-chloropyridazin-3-yl)methyl]phenol

3-[(5-chloropyridazin-3-yl)methyl]phenol (PubChem CID 117106583) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 3-[(5-chloropyridazin-3-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(5-chloropyridazin-3-yl)methyl]phenol
PubChem CID117106583
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name3-[(5-chloropyridazin-3-yl)methyl]phenol
SMILESOc1cccc(Cc2cc(Cl)cnn2)c1
InChIInChI=1S/C11H9ClN2O/c12-9-6-10(14-13-7-9)4-8-2-1-3-11(15)5-8/h1-3,5-7,15H,4H2
InChIKeyYCVOUPLTRANOMN-UHFFFAOYSA-N
XLogP2.43
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chloropyridazin-3-yl)methyl]phenol
CID 117106830
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
3-[(3-hydroxyphenyl)methyl]-1,2-oxazole-5-carboxylic acid
CID 96609565
3-[(8-chloroimidazo[1,5-a]pyridin-3-yl)methyl]phenol
CID 117146925
3-[[(4-chlorophenyl)methylamino]methyl]phenol
CID 28738427
3-[[5-(4-hydroxyphenyl)-3-pyridinyl]methyl]phenol
CID 91408160
3-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]phenol
CID 61400386
3-[2-(2H-triazol-4-yl)ethyl]phenol
CID 112718347
3-[(3-bromophenyl)methyl]pyridazine
CID 117106529
4-[(3-hydroxyphenyl)methyl]benzene-1,2,3-triol
CID 139940610
3-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]phenol
CID 61400301
2-[(3-hydroxyphenyl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid
CID 131988896

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloropyridazin-3-yl)methyl]phenol?
The IUPAC name of 3-[(5-chloropyridazin-3-yl)methyl]phenol (CID 117106583) is 3-[(5-chloropyridazin-3-yl)methyl]phenol.
What is the SMILES notation for 3-[(5-chloropyridazin-3-yl)methyl]phenol?
The canonical SMILES for 3-[(5-chloropyridazin-3-yl)methyl]phenol is Oc1cccc(Cc2cc(Cl)cnn2)c1.
What is the InChIKey of 3-[(5-chloropyridazin-3-yl)methyl]phenol?
The InChIKey is YCVOUPLTRANOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-9-6-10(14-13-7-9)4-8-2-1-3-11(15)5-8/h1-3,5-7,15H,4H2.
What are the key properties of 3-[(5-chloropyridazin-3-yl)methyl]phenol?
3-[(5-chloropyridazin-3-yl)methyl]phenol has a molecular weight of 220.66 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloropyridazin-3-yl)methyl]phenol is sourced from PubChem (CID 117106583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).