(6-chloro-3-methoxypyridazin-4-yl)-phenylmethanol

C12H11ClN2O2 — CID 14685181

IUPAC(6-chloro-3-methoxypyridazin-4-yl)-phenylmethanol
SMILESCOc1nnc(Cl)cc1C(O)c1ccccc1
InChIInChI=1S/C12H11ClN2O2/c1-17-12-9(7-10(13)14-15-12)11(16)8-5-3-2-4-6-8/h2-7,11,16H,1H3
InChIKeyQXNOURHOSTUMKD-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.22
Rot. Bonds3

About (6-chloro-3-methoxypyridazin-4-yl)-phenylmethanol

(6-chloro-3-methoxypyridazin-4-yl)-phenylmethanol (PubChem CID 14685181) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is (6-chloro-3-methoxypyridazin-4-yl)-phenylmethanol.

Molecular Properties

Compound Name(6-chloro-3-methoxypyridazin-4-yl)-phenylmethanol
PubChem CID14685181
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name(6-chloro-3-methoxypyridazin-4-yl)-phenylmethanol
SMILESCOc1nnc(Cl)cc1C(O)c1ccccc1
InChIInChI=1S/C12H11ClN2O2/c1-17-12-9(7-10(13)14-15-12)11(16)8-5-3-2-4-6-8/h2-7,11,16H,1H3
InChIKeyQXNOURHOSTUMKD-UHFFFAOYSA-N
XLogP2.22
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-methoxypyridazin-4-yl)-phenylmethanol?
The IUPAC name of (6-chloro-3-methoxypyridazin-4-yl)-phenylmethanol (CID 14685181) is (6-chloro-3-methoxypyridazin-4-yl)-phenylmethanol.
What is the SMILES notation for (6-chloro-3-methoxypyridazin-4-yl)-phenylmethanol?
The canonical SMILES for (6-chloro-3-methoxypyridazin-4-yl)-phenylmethanol is COc1nnc(Cl)cc1C(O)c1ccccc1.
What is the InChIKey of (6-chloro-3-methoxypyridazin-4-yl)-phenylmethanol?
The InChIKey is QXNOURHOSTUMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-17-12-9(7-10(13)14-15-12)11(16)8-5-3-2-4-6-8/h2-7,11,16H,1H3.
What are the key properties of (6-chloro-3-methoxypyridazin-4-yl)-phenylmethanol?
(6-chloro-3-methoxypyridazin-4-yl)-phenylmethanol has a molecular weight of 250.69 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-methoxypyridazin-4-yl)-phenylmethanol is sourced from PubChem (CID 14685181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).