3-(2-methoxy-4-pyridinyl)bicyclo[4.2.0]octa-1(6),2,4-trien-2-ol

C14H13NO2 — CID 165370393

IUPAC3-(2-methoxy-4-pyridinyl)bicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
SMILESCOc1cc(-c2ccc3c(c2O)CC3)ccn1
InChIInChI=1S/C14H13NO2/c1-17-13-8-10(6-7-15-13)12-5-3-9-2-4-11(9)14(12)16/h3,5-8,16H,2,4H2,1H3
InChIKeyHAYDQZHFTVADQT-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.56
Rot. Bonds2

About 3-(2-methoxy-4-pyridinyl)bicyclo[4.2.0]octa-1(6),2,4-trien-2-ol

3-(2-methoxy-4-pyridinyl)bicyclo[4.2.0]octa-1(6),2,4-trien-2-ol (PubChem CID 165370393) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-(2-methoxy-4-pyridinyl)bicyclo[4.2.0]octa-1(6),2,4-trien-2-ol.

Molecular Properties

Compound Name3-(2-methoxy-4-pyridinyl)bicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
PubChem CID165370393
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name3-(2-methoxy-4-pyridinyl)bicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
SMILESCOc1cc(-c2ccc3c(c2O)CC3)ccn1
InChIInChI=1S/C14H13NO2/c1-17-13-8-10(6-7-15-13)12-5-3-9-2-4-11(9)14(12)16/h3,5-8,16H,2,4H2,1H3
InChIKeyHAYDQZHFTVADQT-UHFFFAOYSA-N
XLogP2.56
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-methoxy-4-pyridinyl)bicyclo[4.2.0]octa-1(6),2,4-trien-2-ol with MolForge

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Related Compounds

N-ethyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
CID 155744646
[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]methylidenethiourea
CID 153357045
4-(2,4-dimethylphenyl)-2-methoxypyridine
CID 90207417
N-(2-amino-2-sulfanylideneethyl)-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
CID 158332853
ethyl N'-carbamothioyl-N-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamimidothioate
CID 150985488
4-(2,6-dichlorophenyl)-2-methoxypyridine
CID 118852441
1-(1-cyclobutylpyrazol-3-yl)sulfanyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 142529183
2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethanol
CID 153357282
3-fluoro-5-(2-methoxy-4-pyridinyl)phenol
CID 83130700
4-(2-fluoro-3-methylphenyl)-2-methoxypyridine
CID 178155180
5-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]methyl]-1H-1,2,4-triazole-3-sulfonyl chloride
CID 153357072
3-(azetidin-3-ylsulfonyl)-1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-1-propan-2-ylurea
CID 155613838

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-pyridinyl)bicyclo[4.2.0]octa-1(6),2,4-trien-2-ol?
The IUPAC name of 3-(2-methoxy-4-pyridinyl)bicyclo[4.2.0]octa-1(6),2,4-trien-2-ol (CID 165370393) is 3-(2-methoxy-4-pyridinyl)bicyclo[4.2.0]octa-1(6),2,4-trien-2-ol.
What is the SMILES notation for 3-(2-methoxy-4-pyridinyl)bicyclo[4.2.0]octa-1(6),2,4-trien-2-ol?
The canonical SMILES for 3-(2-methoxy-4-pyridinyl)bicyclo[4.2.0]octa-1(6),2,4-trien-2-ol is COc1cc(-c2ccc3c(c2O)CC3)ccn1.
What is the InChIKey of 3-(2-methoxy-4-pyridinyl)bicyclo[4.2.0]octa-1(6),2,4-trien-2-ol?
The InChIKey is HAYDQZHFTVADQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-17-13-8-10(6-7-15-13)12-5-3-9-2-4-11(9)14(12)16/h3,5-8,16H,2,4H2,1H3.
What are the key properties of 3-(2-methoxy-4-pyridinyl)bicyclo[4.2.0]octa-1(6),2,4-trien-2-ol?
3-(2-methoxy-4-pyridinyl)bicyclo[4.2.0]octa-1(6),2,4-trien-2-ol has a molecular weight of 227.26 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-pyridinyl)bicyclo[4.2.0]octa-1(6),2,4-trien-2-ol is sourced from PubChem (CID 165370393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).