5H-Benzo(4,5)cyclohepta(1,2-b)pyridin-5-ol, 5-ethynyl-

HCID 214747

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Basic information

CAS: 34144-45-1
Standard SMILES: C#CC1(O)c2ccccc2C=Cc2ncccc21
InChIKey: HOWPFSRCISEIJK-UHFFFAOYSA-N
Molecular formula: C16H11NO
Average molar mass: 233.26 g/mol
Monoisotopic mass: 233.08406397

Names & identifiers

Preferred name: 5H-Benzo(4,5)cyclohepta(1,2-b)pyridin-5-ol, 5-ethynyl-
IUPAC: 2-ethynyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol

Names & synonyms

5-ethynyl-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-5-olBRN 14643985-Ethynyl-5H-benzo(4,5)cyclohepta(1,2-b)pyridin-5-ol5H-Benzo(4,5)cyclohepta(1,2-b)pyridin-5-ol, 5-ethynyl-DTXSID60955683RefChem:305290DTXCID20138367134144-45-111-Ethynylbenzo[1,2]cyclohepta[3,4-b]pyridin-11-ol2-ethynyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-olAM-814/41093185

Database identifiers

CAS: 34144-45-1
PubChem CID: 214747
DTXSID: DTXSID60955683

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 393

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