4-(4-fluorophenyl)-2-oxo-1,5-dihydro-2H-chromeno[4,3-b]pyridine-3-carbonitrile

C19H11FN2O2 — CID 2816446

IUPAC4-(4-fluorophenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile
SMILESC1C2=C(C3=CC=CC=C3O1)NC(=O)C(=C2C4=CC=C(C=C4)F)C#N
InChIInChI=1S/C19H11FN2O2/c20-12-7-5-11(6-8-12)17-14(9-21)19(23)22-18-13-3-1-2-4-16(13)24-10-15(17)18/h1-8H,10H2,(H,22,23)
InChIKeyVKTTZYDUPPEKOB-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.10
Rot. Bonds1

About 4-(4-fluorophenyl)-2-oxo-1,5-dihydro-2H-chromeno[4,3-b]pyridine-3-carbonitrile

4-(4-fluorophenyl)-2-oxo-1,5-dihydro-2H-chromeno[4,3-b]pyridine-3-carbonitrile (PubChem CID 2816446) has the molecular formula C19H11FN2O2 and a molecular weight of 318.30 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-oxo-1,5-dihydro-2H-chromeno[4,3-b]pyridine-3-carbonitrile
PubChem CID2816446
Molecular FormulaC19H11FN2O2
Molecular Weight318.30 g/mol
Exact Mass318.08
IUPAC Name4-(4-fluorophenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile
SMILESC1C2=C(C3=CC=CC=C3O1)NC(=O)C(=C2C4=CC=C(C=C4)F)C#N
InChIInChI=1S/C19H11FN2O2/c20-12-7-5-11(6-8-12)17-14(9-21)19(23)22-18-13-3-1-2-4-16(13)24-10-15(17)18/h1-8H,10H2,(H,22,23)
InChIKeyVKTTZYDUPPEKOB-UHFFFAOYSA-N
XLogP2.10
TPSA62.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity664

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-2-oxo-1,5-dihydro-2H-chromeno[4,3-b]pyridine-3-carbonitrile
CID 399090
4-(2-chlorophenyl)-2-oxo-1,5-dihydro-2H-chromeno[4,3-b]pyridine-3-carbonitrile
CID 2816450
4-[4-(Difluoromethoxy)phenyl]-6-oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 78121022
4-(4-Fluorophenyl)-6-oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 122362722
6-Oxo-4-phenyl-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 122362726
6-Oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 122362730
6-(4-Methoxyphenyl)-4-oxo-9-oxa-3-azatricyclo[8.4.0.0^{2,7}]tetradeca-1(10),2(7),5,11,13-pentaene-5-carbonitrile
CID 848933
6-(2-Hydroxyphenyl)-4-(2-methoxyphenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CID 10313795
2-(2-Methoxyphenyl)-4-(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 164608822
4-(4-Methoxyphenyl)-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile
CID 331769
4-(2-Fluoro-4-methoxyphenyl)-6-oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 122362732
4-(3-Fluoro-4-methoxyphenyl)-6-oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 122362834

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-oxo-1,5-dihydro-2H-chromeno[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-2-oxo-1,5-dihydro-2H-chromeno[4,3-b]pyridine-3-carbonitrile (CID 2816446) is 4-(4-fluorophenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-2-oxo-1,5-dihydro-2H-chromeno[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-2-oxo-1,5-dihydro-2H-chromeno[4,3-b]pyridine-3-carbonitrile is C1C2=C(C3=CC=CC=C3O1)NC(=O)C(=C2C4=CC=C(C=C4)F)C#N.
What is the InChIKey of 4-(4-fluorophenyl)-2-oxo-1,5-dihydro-2H-chromeno[4,3-b]pyridine-3-carbonitrile?
The InChIKey is VKTTZYDUPPEKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN2O2/c20-12-7-5-11(6-8-12)17-14(9-21)19(23)22-18-13-3-1-2-4-16(13)24-10-15(17)18/h1-8H,10H2,(H,22,23).
What are the key properties of 4-(4-fluorophenyl)-2-oxo-1,5-dihydro-2H-chromeno[4,3-b]pyridine-3-carbonitrile?
4-(4-fluorophenyl)-2-oxo-1,5-dihydro-2H-chromeno[4,3-b]pyridine-3-carbonitrile has a molecular weight of 318.30 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-oxo-1,5-dihydro-2H-chromeno[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 2816446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).