(3,6-dichloropyridazin-4-yl)-(2-methoxyphenyl)methanol

C12H10Cl2N2O2 — CID 14685179

IUPAC(3,6-dichloropyridazin-4-yl)-(2-methoxyphenyl)methanol
SMILESCOc1ccccc1C(O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C12H10Cl2N2O2/c1-18-9-5-3-2-4-7(9)11(17)8-6-10(13)15-16-12(8)14/h2-6,11,17H,1H3
InChIKeyBITILTCPXPJSQA-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.87
Rot. Bonds3

About (3,6-dichloropyridazin-4-yl)-(2-methoxyphenyl)methanol

(3,6-dichloropyridazin-4-yl)-(2-methoxyphenyl)methanol (PubChem CID 14685179) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is (3,6-dichloropyridazin-4-yl)-(2-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3,6-dichloropyridazin-4-yl)-(2-methoxyphenyl)methanol
PubChem CID14685179
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name(3,6-dichloropyridazin-4-yl)-(2-methoxyphenyl)methanol
SMILESCOc1ccccc1C(O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C12H10Cl2N2O2/c1-18-9-5-3-2-4-7(9)11(17)8-6-10(13)15-16-12(8)14/h2-6,11,17H,1H3
InChIKeyBITILTCPXPJSQA-UHFFFAOYSA-N
XLogP2.87
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,6-dichloropyridazin-4-yl)-(2-methoxyphenyl)methanol?
The IUPAC name of (3,6-dichloropyridazin-4-yl)-(2-methoxyphenyl)methanol (CID 14685179) is (3,6-dichloropyridazin-4-yl)-(2-methoxyphenyl)methanol.
What is the SMILES notation for (3,6-dichloropyridazin-4-yl)-(2-methoxyphenyl)methanol?
The canonical SMILES for (3,6-dichloropyridazin-4-yl)-(2-methoxyphenyl)methanol is COc1ccccc1C(O)c1cc(Cl)nnc1Cl.
What is the InChIKey of (3,6-dichloropyridazin-4-yl)-(2-methoxyphenyl)methanol?
The InChIKey is BITILTCPXPJSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-18-9-5-3-2-4-7(9)11(17)8-6-10(13)15-16-12(8)14/h2-6,11,17H,1H3.
What are the key properties of (3,6-dichloropyridazin-4-yl)-(2-methoxyphenyl)methanol?
(3,6-dichloropyridazin-4-yl)-(2-methoxyphenyl)methanol has a molecular weight of 285.13 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dichloropyridazin-4-yl)-(2-methoxyphenyl)methanol is sourced from PubChem (CID 14685179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).