9-fluoro-5-oxochromeno[2,3-b]pyridine-7-carbonitrile

C13H5FN2O2 — CID 176770273

IUPAC9-fluoro-5-oxochromeno[2,3-b]pyridine-7-carbonitrile
SMILESN#Cc1cc(F)c2oc3ncccc3c(=O)c2c1
InChIInChI=1S/C13H5FN2O2/c14-10-5-7(6-15)4-9-11(17)8-2-1-3-16-13(8)18-12(9)10/h1-5H
InChIKeyAHJYAOQISQOLSL-UHFFFAOYSA-N
MW240.19 g/mol
LogP2.35
Rot. Bonds

About 9-fluoro-5-oxochromeno[2,3-b]pyridine-7-carbonitrile

9-fluoro-5-oxochromeno[2,3-b]pyridine-7-carbonitrile (PubChem CID 176770273) has the molecular formula C13H5FN2O2 and a molecular weight of 240.19 g/mol. Its IUPAC name is 9-fluoro-5-oxochromeno[2,3-b]pyridine-7-carbonitrile.

Molecular Properties

Compound Name9-fluoro-5-oxochromeno[2,3-b]pyridine-7-carbonitrile
PubChem CID176770273
Molecular FormulaC13H5FN2O2
Molecular Weight240.19 g/mol
Exact Mass240.03
IUPAC Name9-fluoro-5-oxochromeno[2,3-b]pyridine-7-carbonitrile
SMILESN#Cc1cc(F)c2oc3ncccc3c(=O)c2c1
InChIInChI=1S/C13H5FN2O2/c14-10-5-7(6-15)4-9-11(17)8-2-1-3-16-13(8)18-12(9)10/h1-5H
InChIKeyAHJYAOQISQOLSL-UHFFFAOYSA-N
XLogP2.35
TPSA66.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-fluoro-5-oxochromeno[2,3-b]pyridine-7-carbonitrile 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

chromeno[2,3-b]pyridin-5-one
CID 659312
3,5-difluoro-4-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 81283347
1-fluoro-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 170250799
4,5,9,10-tetraoxopyrene-2-carbonitrile
CID 175588919
1-chloro-5-fluoroisoquinoline-7-carbonitrile
CID 168974249
3-[(15-ethyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-4-fluorobenzonitrile
CID 25216913
2-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 61045161
(2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,6-dicarbonitrile
CID 122433363
7-tert-butyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
CID 12689259
ethyl (E)-2-cyano-3-[(5-oxochromeno[2,3-b]pyridin-7-yl)amino]prop-2-enoate
CID 2799072
5,7-dioxobenzo[d][2]benzoxepine-3-carbonitrile
CID 141358162
8-fluoro-4,14-dioxa-11,16-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,7,9,15(20),16,18-octaen-13-one
CID 25217376

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-5-oxochromeno[2,3-b]pyridine-7-carbonitrile?
The IUPAC name of 9-fluoro-5-oxochromeno[2,3-b]pyridine-7-carbonitrile (CID 176770273) is 9-fluoro-5-oxochromeno[2,3-b]pyridine-7-carbonitrile.
What is the SMILES notation for 9-fluoro-5-oxochromeno[2,3-b]pyridine-7-carbonitrile?
The canonical SMILES for 9-fluoro-5-oxochromeno[2,3-b]pyridine-7-carbonitrile is N#Cc1cc(F)c2oc3ncccc3c(=O)c2c1.
What is the InChIKey of 9-fluoro-5-oxochromeno[2,3-b]pyridine-7-carbonitrile?
The InChIKey is AHJYAOQISQOLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5FN2O2/c14-10-5-7(6-15)4-9-11(17)8-2-1-3-16-13(8)18-12(9)10/h1-5H.
What are the key properties of 9-fluoro-5-oxochromeno[2,3-b]pyridine-7-carbonitrile?
9-fluoro-5-oxochromeno[2,3-b]pyridine-7-carbonitrile has a molecular weight of 240.19 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-5-oxochromeno[2,3-b]pyridine-7-carbonitrile is sourced from PubChem (CID 176770273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).