(4R,5R)-5-azido-4,5-dihydropyreno[1,2-b]pyridin-4-ol

C19H12N4O — CID 10519164

IUPAC(4R,5R)-5-azido-4,5-dihydropyreno[1,2-b]pyridin-4-ol
SMILES[N-]=[N+]=N[C@@H]1c2cc3cccnc3c3ccc4cccc(c4c23)[C@H]1O
InChIInChI=1S/C19H12N4O/c20-23-22-18-14-9-11-4-2-8-21-17(11)12-7-6-10-3-1-5-13(19(18)24)15(10)16(12)14/h1-9,18-19,24H/t18-,19-/m1/s1
InChIKeyKDNLCXKBEUXTOF-RTBURBONSA-N
MW312.33 g/mol
LogP4.94
Rot. Bonds1

About (4R,5R)-5-azido-4,5-dihydropyreno[1,2-b]pyridin-4-ol

(4R,5R)-5-azido-4,5-dihydropyreno[1,2-b]pyridin-4-ol (PubChem CID 10519164) has the molecular formula C19H12N4O and a molecular weight of 312.33 g/mol. Its IUPAC name is (4R,5R)-5-azido-4,5-dihydropyreno[1,2-b]pyridin-4-ol.

Molecular Properties

Compound Name(4R,5R)-5-azido-4,5-dihydropyreno[1,2-b]pyridin-4-ol
PubChem CID10519164
Molecular FormulaC19H12N4O
Molecular Weight312.33 g/mol
Exact Mass312.10
IUPAC Name(4R,5R)-5-azido-4,5-dihydropyreno[1,2-b]pyridin-4-ol
SMILES[N-]=[N+]=N[C@@H]1c2cc3cccnc3c3ccc4cccc(c4c23)[C@H]1O
InChIInChI=1S/C19H12N4O/c20-23-22-18-14-9-11-4-2-8-21-17(11)12-7-6-10-3-1-5-13(19(18)24)15(10)16(12)14/h1-9,18-19,24H/t18-,19-/m1/s1
InChIKeyKDNLCXKBEUXTOF-RTBURBONSA-N
XLogP4.94
TPSA81.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (4R,5R)-5-azido-4,5-dihydropyreno[1,2-b]pyridin-4-ol with MolForge

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Related Compounds

3,18-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1,3,5,7,9(23),10,12(24),13,15,17,19,21-dodecaene
CID 27931
(10S,11R)-10-azido-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,13,15,17,19,21-decaen-11-ol
CID 11724683
coronene;1,8-naphthyridine
CID 87840875
8-azidoquinoline
CID 11321201
1-phenylpyreno[1,2-b]pyridine
CID 89296855
[(5R,6R)-6-azido-5,6-dihydro-1,10-phenanthrolin-5-yl] acetate
CID 102390884
benzo[h]quinoline-6,7-dicarboxylic acid
CID 67796843
12,25-ditert-butyl-8,21-diazaheptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15(27),16,18,20,22,24-tetradecaene
CID 132549358
diiodo(dimethyl)stannane;1,10-phenanthroline
CID 4611650
8-(2-azidoethoxy)quinoline
CID 55137163
benzo[h]quinolin-10-olate
CID 101433150
benzo[h]quinolin-10-ylphosphonic acid
CID 134535865

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-azido-4,5-dihydropyreno[1,2-b]pyridin-4-ol?
The IUPAC name of (4R,5R)-5-azido-4,5-dihydropyreno[1,2-b]pyridin-4-ol (CID 10519164) is (4R,5R)-5-azido-4,5-dihydropyreno[1,2-b]pyridin-4-ol.
What is the SMILES notation for (4R,5R)-5-azido-4,5-dihydropyreno[1,2-b]pyridin-4-ol?
The canonical SMILES for (4R,5R)-5-azido-4,5-dihydropyreno[1,2-b]pyridin-4-ol is [N-]=[N+]=N[C@@H]1c2cc3cccnc3c3ccc4cccc(c4c23)[C@H]1O.
What is the InChIKey of (4R,5R)-5-azido-4,5-dihydropyreno[1,2-b]pyridin-4-ol?
The InChIKey is KDNLCXKBEUXTOF-RTBURBONSA-N. The full InChI is InChI=1S/C19H12N4O/c20-23-22-18-14-9-11-4-2-8-21-17(11)12-7-6-10-3-1-5-13(19(18)24)15(10)16(12)14/h1-9,18-19,24H/t18-,19-/m1/s1.
What are the key properties of (4R,5R)-5-azido-4,5-dihydropyreno[1,2-b]pyridin-4-ol?
(4R,5R)-5-azido-4,5-dihydropyreno[1,2-b]pyridin-4-ol has a molecular weight of 312.33 g/mol, XLogP of 4.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-azido-4,5-dihydropyreno[1,2-b]pyridin-4-ol is sourced from PubChem (CID 10519164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).