2-cyclopenta[b]pyran-7-yl-4,6-dimethoxypyridine

C15H13NO3 — CID 152716334

IUPAC2-cyclopenta[b]pyran-7-yl-4,6-dimethoxypyridine
SMILESCOc1cc(OC)nc(-c2ccc3cccoc2-3)c1
InChIInChI=1S/C15H13NO3/c1-17-11-8-13(16-14(9-11)18-2)12-6-5-10-4-3-7-19-15(10)12/h3-9H,1-2H3
InChIKeyZURLNIMXPCCKJK-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.46
Rot. Bonds3

About 2-cyclopenta[b]pyran-7-yl-4,6-dimethoxypyridine

2-cyclopenta[b]pyran-7-yl-4,6-dimethoxypyridine (PubChem CID 152716334) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-cyclopenta[b]pyran-7-yl-4,6-dimethoxypyridine.

Molecular Properties

Compound Name2-cyclopenta[b]pyran-7-yl-4,6-dimethoxypyridine
PubChem CID152716334
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2-cyclopenta[b]pyran-7-yl-4,6-dimethoxypyridine
SMILESCOc1cc(OC)nc(-c2ccc3cccoc2-3)c1
InChIInChI=1S/C15H13NO3/c1-17-11-8-13(16-14(9-11)18-2)12-6-5-10-4-3-7-19-15(10)12/h3-9H,1-2H3
InChIKeyZURLNIMXPCCKJK-UHFFFAOYSA-N
XLogP3.46
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-3-(4-methoxyphenyl)furan
CID 175393326
sodium;2-(4,6-dimethoxy-2-pyridinyl)-4-methoxybenzoic acid;hydride
CID 174676062
3-[3-(4-methoxyphenyl)furan-2-yl]-2,5-diphenylfuran
CID 175558606
5-(furan-2-yl)-2-methoxypyridine
CID 58016660
2-(2,4-difluorophenyl)-6-(3-fluorophenyl)-4-methoxypyridine
CID 15022677
4-[4-[3-cyano-6-(furan-2-yl)-2-methoxy-4-pyridinyl]phenyl]-6-(furan-2-yl)-2-methoxypyridine-3-carbonitrile
CID 14950543
1-(furan-2-yl)-3-(4-methoxyphenyl)isoquinoline
CID 44551728
5-(furan-2-yl)-3-(3-methoxyphenyl)-1H-pyrazole
CID 73052635
2-methoxy-6-phenylpyridine-4-carbaldehyde
CID 131526477
5-(4-methoxyphenyl)-2,3-diphenylfuran
CID 2733040
4-(2,5-dimethoxyphenyl)-6-(furan-2-yl)pyrimidin-2-amine
CID 75359770
2-(4-methoxyphenyl)furan-3-carbaldehyde
CID 86258825

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta[b]pyran-7-yl-4,6-dimethoxypyridine?
The IUPAC name of 2-cyclopenta[b]pyran-7-yl-4,6-dimethoxypyridine (CID 152716334) is 2-cyclopenta[b]pyran-7-yl-4,6-dimethoxypyridine.
What is the SMILES notation for 2-cyclopenta[b]pyran-7-yl-4,6-dimethoxypyridine?
The canonical SMILES for 2-cyclopenta[b]pyran-7-yl-4,6-dimethoxypyridine is COc1cc(OC)nc(-c2ccc3cccoc2-3)c1.
What is the InChIKey of 2-cyclopenta[b]pyran-7-yl-4,6-dimethoxypyridine?
The InChIKey is ZURLNIMXPCCKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-17-11-8-13(16-14(9-11)18-2)12-6-5-10-4-3-7-19-15(10)12/h3-9H,1-2H3.
What are the key properties of 2-cyclopenta[b]pyran-7-yl-4,6-dimethoxypyridine?
2-cyclopenta[b]pyran-7-yl-4,6-dimethoxypyridine has a molecular weight of 255.27 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta[b]pyran-7-yl-4,6-dimethoxypyridine is sourced from PubChem (CID 152716334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).