(6-methoxypyridazin-3-yl)-(3-methoxy-2-pyridinyl)methanone

C12H11N3O3 — CID 114053733

IUPAC(6-methoxypyridazin-3-yl)-(3-methoxy-2-pyridinyl)methanone
SMILESCOc1ccc(C(=O)c2ncccc2OC)nn1
InChIInChI=1S/C12H11N3O3/c1-17-9-4-3-7-13-11(9)12(16)8-5-6-10(18-2)15-14-8/h3-7H,1-2H3
InChIKeyAJLYEQXKUNQZJU-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.12
Rot. Bonds4

About (6-methoxypyridazin-3-yl)-(3-methoxy-2-pyridinyl)methanone

(6-methoxypyridazin-3-yl)-(3-methoxy-2-pyridinyl)methanone (PubChem CID 114053733) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is (6-methoxypyridazin-3-yl)-(3-methoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name(6-methoxypyridazin-3-yl)-(3-methoxy-2-pyridinyl)methanone
PubChem CID114053733
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name(6-methoxypyridazin-3-yl)-(3-methoxy-2-pyridinyl)methanone
SMILESCOc1ccc(C(=O)c2ncccc2OC)nn1
InChIInChI=1S/C12H11N3O3/c1-17-9-4-3-7-13-11(9)12(16)8-5-6-10(18-2)15-14-8/h3-7H,1-2H3
InChIKeyAJLYEQXKUNQZJU-UHFFFAOYSA-N
XLogP1.12
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6-methoxypyridazin-3-yl)-(2-propoxyphenyl)methanone
CID 103373209
(6-methoxypyridazin-3-yl)-phenylmethanone
CID 10242336
sodium 3-methoxypyridine-2-carboxylate
CID 66803094
potassium 3-methoxypyridine-2-carboxylate
CID 159434407
bromo 3-methoxypyridine-2-carboxylate
CID 71151009
3-methoxy-2-prop-1-en-2-ylpyridine
CID 146416836
(5-bromo-2-chlorophenyl)-(3-methoxy-2-pyridinyl)methanone
CID 114054374
(3-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone
CID 103373214
3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 175807112
3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate
CID 162061282
1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone
CID 112742987
(6-methoxypyridazin-3-yl)-(2,3,4-trifluorophenyl)methanone
CID 103373289

Frequently Asked Questions

What is the IUPAC name of (6-methoxypyridazin-3-yl)-(3-methoxy-2-pyridinyl)methanone?
The IUPAC name of (6-methoxypyridazin-3-yl)-(3-methoxy-2-pyridinyl)methanone (CID 114053733) is (6-methoxypyridazin-3-yl)-(3-methoxy-2-pyridinyl)methanone.
What is the SMILES notation for (6-methoxypyridazin-3-yl)-(3-methoxy-2-pyridinyl)methanone?
The canonical SMILES for (6-methoxypyridazin-3-yl)-(3-methoxy-2-pyridinyl)methanone is COc1ccc(C(=O)c2ncccc2OC)nn1.
What is the InChIKey of (6-methoxypyridazin-3-yl)-(3-methoxy-2-pyridinyl)methanone?
The InChIKey is AJLYEQXKUNQZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-17-9-4-3-7-13-11(9)12(16)8-5-6-10(18-2)15-14-8/h3-7H,1-2H3.
What are the key properties of (6-methoxypyridazin-3-yl)-(3-methoxy-2-pyridinyl)methanone?
(6-methoxypyridazin-3-yl)-(3-methoxy-2-pyridinyl)methanone has a molecular weight of 245.24 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyridazin-3-yl)-(3-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 114053733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).