4-Azafluorene

HCID 9205CAS 244-99-5

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Basic information

Standard SMILES: c1ccc2c(c1)Cc1cccnc1-2
InChIKey: FWEHZHRUCQRSJP-UHFFFAOYSA-N
Molecular formula: C12H9N
Average molar mass: 167.21 g/mol
Monoisotopic mass: 167.07349929

Overview

5H-indeno[1,2-b]pyridine is a member of pyridines.

Names & identifiers

Preferred name: 4-Azafluorene
IUPAC: 5H-indeno[1,2-b]pyridine
English name: 5H-indeno[1,2-b]pyridine
Molecular formula: C12H9N
Molecular weight: 167.21

Names & synonyms

5H-Indeno[1,2-b]pyridine4-AZAFLUORENE244-99-55H-Indeno(1,2-b)pyridine23F9BQB0PUDTXSID8075209RefChem:1070341DTXCID6037069205-961-1C12H9NUNII-23F9BQB0PUEINECS 205-961-1

Show more names

indeno[3,2-b]pyridineMaybridge1_007099SCHEMBL69894orb3029930SCHEMBL18890756SCHEMBL30322896FWEHZHRUCQRSJP-UHFFFAOYSA-HMS561K15

Database identifiers

CAS: 244-99-5
PubChem CID: 9205
DTXSID: DTXSID8075209
ChEBI: CHEBI:194831
UNII: 23F9BQB0PU
EC Number: 205-961-1
Nikkaji: J149.748K

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 190

Physicochemical properties

Melting point: 93 °C · 93 °C
Boiling point: 306 °C · 306 °C
Density: 1.181 · 1.181±0.06 g/cm3(Predicted)
pka: 4.69 · 4.69±0.20(Predicted)
InChI: InChI=1S/C12H9N/c1-2-6-11-9(4-1)8-10-5-3-7-13-12(10)11/h1-7H,8H2
InChIKey: FWEHZHRUCQRSJP-UHFFFAOYSA-N
SMILES: C12C3=C(C=CC=C3)CC1=CC=CN=2
FDA UNII: 23 F9BQB0PU · 23F9BQB0PU
EPA Substance Registry System: 5 H-Indeno[1,2-b]pyridine · 5H-Indeno[1,2-b]pyridine (244-99-5)