(3-chloro-6-phenylpyridazin-4-yl)methanol

C11H9ClN2O — CID 66523211

IUPAC(3-chloro-6-phenylpyridazin-4-yl)methanol
SMILESOCc1cc(-c2ccccc2)nnc1Cl
InChIInChI=1S/C11H9ClN2O/c12-11-9(7-15)6-10(13-14-11)8-4-2-1-3-5-8/h1-6,15H,7H2
InChIKeyJRGDUAKJLRQAJP-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.29
Rot. Bonds2

About (3-chloro-6-phenylpyridazin-4-yl)methanol

(3-chloro-6-phenylpyridazin-4-yl)methanol (PubChem CID 66523211) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is (3-chloro-6-phenylpyridazin-4-yl)methanol.

Molecular Properties

Compound Name(3-chloro-6-phenylpyridazin-4-yl)methanol
PubChem CID66523211
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name(3-chloro-6-phenylpyridazin-4-yl)methanol
SMILESOCc1cc(-c2ccccc2)nnc1Cl
InChIInChI=1S/C11H9ClN2O/c12-11-9(7-15)6-10(13-14-11)8-4-2-1-3-5-8/h1-6,15H,7H2
InChIKeyJRGDUAKJLRQAJP-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-phenylpyridazin-4-yl)methanol?
The IUPAC name of (3-chloro-6-phenylpyridazin-4-yl)methanol (CID 66523211) is (3-chloro-6-phenylpyridazin-4-yl)methanol.
What is the SMILES notation for (3-chloro-6-phenylpyridazin-4-yl)methanol?
The canonical SMILES for (3-chloro-6-phenylpyridazin-4-yl)methanol is OCc1cc(-c2ccccc2)nnc1Cl.
What is the InChIKey of (3-chloro-6-phenylpyridazin-4-yl)methanol?
The InChIKey is JRGDUAKJLRQAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-11-9(7-15)6-10(13-14-11)8-4-2-1-3-5-8/h1-6,15H,7H2.
What are the key properties of (3-chloro-6-phenylpyridazin-4-yl)methanol?
(3-chloro-6-phenylpyridazin-4-yl)methanol has a molecular weight of 220.66 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-phenylpyridazin-4-yl)methanol is sourced from PubChem (CID 66523211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).