(2-methoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methanone

C11H11N3O2 — CID 62876172

IUPAC(2-methoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methanone
SMILESCOc1ncccc1C(=O)c1nccn1C
InChIInChI=1S/C11H11N3O2/c1-14-7-6-12-10(14)9(15)8-4-3-5-13-11(8)16-2/h3-7H,1-2H3
InChIKeyXKDWJAHMQXDEOJ-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.05
Rot. Bonds3

About (2-methoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methanone

(2-methoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methanone (PubChem CID 62876172) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methanone
PubChem CID62876172
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name(2-methoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methanone
SMILESCOc1ncccc1C(=O)c1nccn1C
InChIInChI=1S/C11H11N3O2/c1-14-7-6-12-10(14)9(15)8-4-3-5-13-11(8)16-2/h3-7H,1-2H3
InChIKeyXKDWJAHMQXDEOJ-UHFFFAOYSA-N
XLogP1.05
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone
CID 105116343
methyl 2-(2-methoxypyridine-3-carbonyl)benzoate
CID 24723742
(3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone
CID 115605036
(2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
CID 105098109
(5-chloro-2-methoxy-3-methylphenyl)-(1-methylimidazol-2-yl)methanone
CID 82486462
methyl 3-(2-methoxypyridine-3-carbonyl)benzoate
CID 24723743
(3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methanone
CID 107361591
2-methoxy-1-(1-methylimidazol-2-yl)propan-1-one
CID 79616410
(1-methylimidazol-2-yl)-(6-methyl-3-pyridinyl)methanone
CID 112731494
(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanone
CID 105130385
[(2R)-1-pyrazol-1-ylpropan-2-yl] 2-methoxypyridine-3-carboxylate
CID 97136672
(2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709642

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methanone?
The IUPAC name of (2-methoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methanone (CID 62876172) is (2-methoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for (2-methoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for (2-methoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methanone is COc1ncccc1C(=O)c1nccn1C.
What is the InChIKey of (2-methoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methanone?
The InChIKey is XKDWJAHMQXDEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-14-7-6-12-10(14)9(15)8-4-3-5-13-11(8)16-2/h3-7H,1-2H3.
What are the key properties of (2-methoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methanone?
(2-methoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methanone has a molecular weight of 217.23 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 62876172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).