2-fluoro-4-iodo-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile

C13H6FIN2O2 — CID 155039002

IUPAC2-fluoro-4-iodo-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile
SMILESN#Cc1ccc2c(c1)-c1cc(F)c(=O)n(I)c1CO2
InChIInChI=1S/C13H6FIN2O2/c14-10-4-8-9-3-7(5-16)1-2-12(9)19-6-11(8)17(15)13(10)18/h1-4H,6H2
InChIKeyZXLDHEVDLJZQBU-UHFFFAOYSA-N
MW368.11 g/mol
LogP2.62
Rot. Bonds

About 2-fluoro-4-iodo-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile

2-fluoro-4-iodo-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile (PubChem CID 155039002) has the molecular formula C13H6FIN2O2 and a molecular weight of 368.11 g/mol. Its IUPAC name is 2-fluoro-4-iodo-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile.

Molecular Properties

Compound Name2-fluoro-4-iodo-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile
PubChem CID155039002
Molecular FormulaC13H6FIN2O2
Molecular Weight368.11 g/mol
Exact Mass367.95
IUPAC Name2-fluoro-4-iodo-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile
SMILESN#Cc1ccc2c(c1)-c1cc(F)c(=O)n(I)c1CO2
InChIInChI=1S/C13H6FIN2O2/c14-10-4-8-9-3-7(5-16)1-2-12(9)19-6-11(8)17(15)13(10)18/h1-4H,6H2
InChIKeyZXLDHEVDLJZQBU-UHFFFAOYSA-N
XLogP2.62
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.11
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile
CID 167360837
3-(bromomethyl)-2-fluoro-6H-benzo[c]chromene-9-carbonitrile
CID 170281549
3-(2-amino-2-cyanoethyl)-2-fluoro-6H-benzo[c]chromene-9-carbonitrile
CID 171048895
3-[(2S)-2-amino-2-cyanoethyl]-2-fluoro-6H-benzo[c]chromene-8-carbonitrile
CID 170280646
1-oxo-3H-2-benzofuran-5-carbonitrile
CID 821218
3-fluoro-4-iodobenzonitrile
CID 24721521
4-fluoro-3-[(7-oxo-5,6-dihydro-4H-isoindol-2-yl)methyl]benzonitrile
CID 83208607
N-(4-cyano-2-fluorophenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide
CID 168962959
4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride
CID 156733025
3-fluoro-4-(4-oxopiperidin-1-yl)benzonitrile
CID 43656981
3-(4-chlorophenyl)-4-fluorobenzonitrile
CID 82115906
4-fluoro-3-phenylbenzonitrile
CID 46314741

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-iodo-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile?
The IUPAC name of 2-fluoro-4-iodo-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile (CID 155039002) is 2-fluoro-4-iodo-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile.
What is the SMILES notation for 2-fluoro-4-iodo-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile?
The canonical SMILES for 2-fluoro-4-iodo-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile is N#Cc1ccc2c(c1)-c1cc(F)c(=O)n(I)c1CO2.
What is the InChIKey of 2-fluoro-4-iodo-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile?
The InChIKey is ZXLDHEVDLJZQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6FIN2O2/c14-10-4-8-9-3-7(5-16)1-2-12(9)19-6-11(8)17(15)13(10)18/h1-4H,6H2.
What are the key properties of 2-fluoro-4-iodo-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile?
2-fluoro-4-iodo-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile has a molecular weight of 368.11 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-iodo-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile is sourced from PubChem (CID 155039002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).