4-(3-methyl-2-pyridinyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol

C15H14N2O2 — CID 91027860

IUPAC4-(3-methyl-2-pyridinyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
SMILESCc1cccnc1-n1c(O)c2c(c1O)C1C=CC2C1
InChIInChI=1S/C15H14N2O2/c1-8-3-2-6-16-13(8)17-14(18)11-9-4-5-10(7-9)12(11)15(17)19/h2-6,9-10,18-19H,7H2,1H3
InChIKeyYRRRHZDKCCGTQO-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.73
Rot. Bonds1

About 4-(3-methyl-2-pyridinyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol

4-(3-methyl-2-pyridinyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol (PubChem CID 91027860) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-(3-methyl-2-pyridinyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol.

Molecular Properties

Compound Name4-(3-methyl-2-pyridinyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
PubChem CID91027860
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4-(3-methyl-2-pyridinyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
SMILESCc1cccnc1-n1c(O)c2c(c1O)C1C=CC2C1
InChIInChI=1S/C15H14N2O2/c1-8-3-2-6-16-13(8)17-14(18)11-9-4-5-10(7-9)12(11)15(17)19/h2-6,9-10,18-19H,7H2,1H3
InChIKeyYRRRHZDKCCGTQO-UHFFFAOYSA-N
XLogP2.73
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(3-methyl-2-pyridinyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol with MolForge

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Related Compounds

4-quinolin-7-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 91933166
4-(4-methylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 123527659
1-[2-(3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)phenyl]ethanone
CID 91416933
4-(4-chlorophenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 90918591
1-(3-methyl-2-pyridinyl)-4-methylsulfonyl-1,4-diazepane
CID 51346045
2-(3-methyl-2-pyridinyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2875690
(1S,7R)-4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 90761301
[1-(3-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 62254085
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573
9-(3-methyl-2-pyridinyl)carbazol-2-ol
CID 141484021
2-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]propan-2-ol
CID 173123484
3,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrazol-4-ol
CID 39096479

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2-pyridinyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The IUPAC name of 4-(3-methyl-2-pyridinyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol (CID 91027860) is 4-(3-methyl-2-pyridinyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol.
What is the SMILES notation for 4-(3-methyl-2-pyridinyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The canonical SMILES for 4-(3-methyl-2-pyridinyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol is Cc1cccnc1-n1c(O)c2c(c1O)C1C=CC2C1.
What is the InChIKey of 4-(3-methyl-2-pyridinyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The InChIKey is YRRRHZDKCCGTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-8-3-2-6-16-13(8)17-14(18)11-9-4-5-10(7-9)12(11)15(17)19/h2-6,9-10,18-19H,7H2,1H3.
What are the key properties of 4-(3-methyl-2-pyridinyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
4-(3-methyl-2-pyridinyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol has a molecular weight of 254.29 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2-pyridinyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol is sourced from PubChem (CID 91027860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).