4-(2-chlorophenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile

C19H11ClN2O2 — CID 2816450

IUPAC4-(2-chlorophenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2Cl)c2c([nH]c1=O)-c1ccccc1OC2
InChIInChI=1S/C19H11ClN2O2/c20-15-7-3-1-5-11(15)17-13(9-21)19(23)22-18-12-6-2-4-8-16(12)24-10-14(17)18/h1-8H,10H2,(H,22,23)
InChIKeySGRUPDAVNVZWDX-UHFFFAOYSA-N
MW334.76 g/mol
LogP4.13
Rot. Bonds1

About 4-(2-chlorophenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile

4-(2-chlorophenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile (PubChem CID 2816450) has the molecular formula C19H11ClN2O2 and a molecular weight of 334.76 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile
PubChem CID2816450
Molecular FormulaC19H11ClN2O2
Molecular Weight334.76 g/mol
Exact Mass334.05
IUPAC Name4-(2-chlorophenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2Cl)c2c([nH]c1=O)-c1ccccc1OC2
InChIInChI=1S/C19H11ClN2O2/c20-15-7-3-1-5-11(15)17-13(9-21)19(23)22-18-12-6-2-4-8-16(12)24-10-14(17)18/h1-8H,10H2,(H,22,23)
InChIKeySGRUPDAVNVZWDX-UHFFFAOYSA-N
XLogP4.13
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 4-(2-chlorophenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile (CID 2816450) is 4-(2-chlorophenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-chlorophenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-chlorophenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile is N#Cc1c(-c2ccccc2Cl)c2c([nH]c1=O)-c1ccccc1OC2.
What is the InChIKey of 4-(2-chlorophenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile?
The InChIKey is SGRUPDAVNVZWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN2O2/c20-15-7-3-1-5-11(15)17-13(9-21)19(23)22-18-12-6-2-4-8-16(12)24-10-14(17)18/h1-8H,10H2,(H,22,23).
What are the key properties of 4-(2-chlorophenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile?
4-(2-chlorophenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile has a molecular weight of 334.76 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 2816450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).