(4R)-4H-pyreno[1,2-b]pyridin-10-ium-4-ol

C19H12NO+ — CID 102381096

IUPAC(4R)-4H-pyreno[1,2-b]pyridin-10-ium-4-ol
SMILESO[C@@H]1C=c2cc3c(c4ccc5cccc1c5c24)=[N+]=CC=C3
InChIInChI=1S/C19H12NO/c21-16-10-13-9-12-4-2-8-20-19(12)15-7-6-11-3-1-5-14(16)17(11)18(13)15/h1-10,16,21H/q+1/t16-/m1/s1
InChIKeyOQNRQSCUHJPZGW-MRXNPFEDSA-N
MW270.31 g/mol
LogP1.60
Rot. Bonds

About (4R)-4H-pyreno[1,2-b]pyridin-10-ium-4-ol

(4R)-4H-pyreno[1,2-b]pyridin-10-ium-4-ol (PubChem CID 102381096) has the molecular formula C19H12NO+ and a molecular weight of 270.31 g/mol. Its IUPAC name is (4R)-4H-pyreno[1,2-b]pyridin-10-ium-4-ol.

Molecular Properties

Compound Name(4R)-4H-pyreno[1,2-b]pyridin-10-ium-4-ol
PubChem CID102381096
Molecular FormulaC19H12NO+
Molecular Weight270.31 g/mol
Exact Mass270.09
IUPAC Name(4R)-4H-pyreno[1,2-b]pyridin-10-ium-4-ol
SMILESO[C@@H]1C=c2cc3c(c4ccc5cccc1c5c24)=[N+]=CC=C3
InChIInChI=1S/C19H12NO/c21-16-10-13-9-12-4-2-8-20-19(12)15-7-6-11-3-1-5-14(16)17(11)18(13)15/h1-10,16,21H/q+1/t16-/m1/s1
InChIKeyOQNRQSCUHJPZGW-MRXNPFEDSA-N
XLogP1.60
TPSA34.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (4R)-4H-pyreno[1,2-b]pyridin-10-ium-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[10-Cyanoimino-2-(hydroxymethyl)anthracen-9-ylidene]cyanamide
CID 400757
1-(alpha-Hydroxybenzyl)-3,4-dihydroisoquinoline
CID 129761855
2-[(Naphthalen-1-ylmethylene)amino]-1-phenylethan1-ol
CID 134159652
2,3-Dihydronaphtho[2,3-f]quinoxalin-6-ol
CID 137241659
(1R,2S)-1-phenyl-2-(pyren-1-ylmethylideneamino)propan-1-ol
CID 139186315
(9R,10S)-10-[(E)-2-(benzhydrylideneamino)ethenyl]-9,10-dihydrophenanthren-9-ol
CID 155931212
(12R,13S)-13-[(E)-2-(benzhydrylideneamino)ethenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaen-12-ol
CID 155931216
8-(1-hydroxy-3-methylbutyl)-6-[(E)-2-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)ethenyl]naphthalene-2-carbonitrile
CID 18680109
10-(Hydroxymethyl)-9-((methylimino)methyl)anthracene
CID 22662200
phenyl-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol
CID 22978334
[9-(Methyliminomethyl)anthracen-2-yl]methanol
CID 57310667
[8-(3H-pyrrol-2-yl)naphthalen-1-yl]methanol;yttrium
CID 58299403

Frequently Asked Questions

What is the IUPAC name of (4R)-4H-pyreno[1,2-b]pyridin-10-ium-4-ol?
The IUPAC name of (4R)-4H-pyreno[1,2-b]pyridin-10-ium-4-ol (CID 102381096) is (4R)-4H-pyreno[1,2-b]pyridin-10-ium-4-ol.
What is the SMILES notation for (4R)-4H-pyreno[1,2-b]pyridin-10-ium-4-ol?
The canonical SMILES for (4R)-4H-pyreno[1,2-b]pyridin-10-ium-4-ol is O[C@@H]1C=c2cc3c(c4ccc5cccc1c5c24)=[N+]=CC=C3.
What is the InChIKey of (4R)-4H-pyreno[1,2-b]pyridin-10-ium-4-ol?
The InChIKey is OQNRQSCUHJPZGW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H12NO/c21-16-10-13-9-12-4-2-8-20-19(12)15-7-6-11-3-1-5-14(16)17(11)18(13)15/h1-10,16,21H/q+1/t16-/m1/s1.
What are the key properties of (4R)-4H-pyreno[1,2-b]pyridin-10-ium-4-ol?
(4R)-4H-pyreno[1,2-b]pyridin-10-ium-4-ol has a molecular weight of 270.31 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4H-pyreno[1,2-b]pyridin-10-ium-4-ol is sourced from PubChem (CID 102381096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).