5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-amine
Basic information
- CAS
1796539-99-5- Standard SMILES
Nc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1- InChIKey
ZBANWYNOBTWFSH-UHFFFAOYSA-N- Molecular formula
- C16H12N4
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.1061964
Names & identifiers
- Preferred name
- 5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-amine
- IUPAC
- 5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-amine
- English name
- 2-Pyridinamine, 5-(5H-pyrido[4,3-b]indol-7-yl)-
- Molecular formula
- C16H12N4
- Molecular weight
- 260.29
Names & synonyms
5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-amineWZG02561796539-99-52-?Pyridinamine, 5-?(5H-?pyrido[4,?3-?b]?indol-?7-?yl)?-
Database identifiers
- CAS
1796539-99-5- PubChem CID
- 178244124
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Boiling point
- 565.9 · 565.9±45.0 °C(Predicted)
- Density
- 1.369 · 1.369±0.06 g/cm3(Predicted)
- pka
- 14.35 · 14.35±0.40(Predicted)
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Compound notes
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