(6-methoxy-3-pyridinyl)-(oxolan-3-yl)methanone

C11H13NO3 — CID 130594889

IUPAC(6-methoxy-3-pyridinyl)-(oxolan-3-yl)methanone
SMILESCOc1ccc(C(=O)C2CCOC2)cn1
InChIInChI=1S/C11H13NO3/c1-14-10-3-2-8(6-12-10)11(13)9-4-5-15-7-9/h2-3,6,9H,4-5,7H2,1H3
InChIKeyBLSYZVXWAXOQNK-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.31
Rot. Bonds3

About (6-methoxy-3-pyridinyl)-(oxolan-3-yl)methanone

(6-methoxy-3-pyridinyl)-(oxolan-3-yl)methanone (PubChem CID 130594889) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(6-methoxy-3-pyridinyl)-(oxolan-3-yl)methanone
PubChem CID130594889
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(6-methoxy-3-pyridinyl)-(oxolan-3-yl)methanone
SMILESCOc1ccc(C(=O)C2CCOC2)cn1
InChIInChI=1S/C11H13NO3/c1-14-10-3-2-8(6-12-10)11(13)9-4-5-15-7-9/h2-3,6,9H,4-5,7H2,1H3
InChIKeyBLSYZVXWAXOQNK-UHFFFAOYSA-N
XLogP1.31
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide
CID 91793620
(4-ethoxyphenyl)-(oxolan-3-yl)methanone
CID 61272590
methyl 4-(6-methoxypyridine-3-carbonyl)morpholine-3-carboxylate
CID 115670220
(3-methoxy-1,2-thiazol-5-yl)-(oxolan-3-yl)methanone
CID 126999981
N-(6-methoxy-3-pyridinyl)-N-methyloxane-4-carboxamide
CID 75418464
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(6-methoxy-3-pyridinyl)methanone
CID 171943565
(6-methoxypyridazin-3-yl)-(oxan-3-yl)methanone
CID 107136044
N-(6-methoxypyridazin-3-yl)oxolane-3-carboxamide
CID 155503304
(6-methoxy-3-pyridinyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 127772368
2-[(6-methoxypyridine-3-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547837
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529
[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 67993152

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-pyridinyl)-(oxolan-3-yl)methanone?
The IUPAC name of (6-methoxy-3-pyridinyl)-(oxolan-3-yl)methanone (CID 130594889) is (6-methoxy-3-pyridinyl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (6-methoxy-3-pyridinyl)-(oxolan-3-yl)methanone?
The canonical SMILES for (6-methoxy-3-pyridinyl)-(oxolan-3-yl)methanone is COc1ccc(C(=O)C2CCOC2)cn1.
What is the InChIKey of (6-methoxy-3-pyridinyl)-(oxolan-3-yl)methanone?
The InChIKey is BLSYZVXWAXOQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-14-10-3-2-8(6-12-10)11(13)9-4-5-15-7-9/h2-3,6,9H,4-5,7H2,1H3.
What are the key properties of (6-methoxy-3-pyridinyl)-(oxolan-3-yl)methanone?
(6-methoxy-3-pyridinyl)-(oxolan-3-yl)methanone has a molecular weight of 207.23 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-pyridinyl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 130594889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).