6-(9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)pyridine-3-carboxylic acid

C16H14N2O2 — CID 166288576

IUPAC6-(9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CC3CC2c2ccccc23)nc1
InChIInChI=1S/C16H14N2O2/c19-16(20)10-5-6-15(17-8-10)18-9-11-7-14(18)13-4-2-1-3-12(11)13/h1-6,8,11,14H,7,9H2,(H,19,20)
InChIKeyLDFVZGYRLDCLPR-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.83
Rot. Bonds2

About 6-(9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)pyridine-3-carboxylic acid

6-(9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)pyridine-3-carboxylic acid (PubChem CID 166288576) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-(9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)pyridine-3-carboxylic acid
PubChem CID166288576
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name6-(9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CC3CC2c2ccccc23)nc1
InChIInChI=1S/C16H14N2O2/c19-16(20)10-5-6-15(17-8-10)18-9-11-7-14(18)13-4-2-1-3-12(11)13/h1-6,8,11,14H,7,9H2,(H,19,20)
InChIKeyLDFVZGYRLDCLPR-UHFFFAOYSA-N
XLogP2.83
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)pyridine-3-carboxylic acid with MolForge

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Related Compounds

6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)pyridine-3-carboxylic acid
CID 121202191
6-(2,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62331437
6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 23432931
6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 66057235
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 60974707
6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid
CID 121201375
5-[2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119137416
6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 82116544
6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445649
6-(1,3-dioxo-4H-isoquinolin-2-yl)pyridine-3-carboxylic acid
CID 63260234

Frequently Asked Questions

What is the IUPAC name of 6-(9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)pyridine-3-carboxylic acid (CID 166288576) is 6-(9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)pyridine-3-carboxylic acid is O=C(O)c1ccc(N2CC3CC2c2ccccc23)nc1.
What is the InChIKey of 6-(9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)pyridine-3-carboxylic acid?
The InChIKey is LDFVZGYRLDCLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-16(20)10-5-6-15(17-8-10)18-9-11-7-14(18)13-4-2-1-3-12(11)13/h1-6,8,11,14H,7,9H2,(H,19,20).
What are the key properties of 6-(9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)pyridine-3-carboxylic acid?
6-(9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)pyridine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 166288576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).