4-(5-chloro-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carbonitrile

C18H15ClN2O2 — CID 22123092

IUPAC4-(5-chloro-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carbonitrile
SMILESCC1=C(n2cc(Cl)ccc2=O)c2cc(C#N)ccc2OC1(C)C
InChIInChI=1S/C18H15ClN2O2/c1-11-17(21-10-13(19)5-7-16(21)22)14-8-12(9-20)4-6-15(14)23-18(11,2)3/h4-8,10H,1-3H3
InChIKeyGHVNCUOLTAXCOL-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.82
Rot. Bonds1

About 4-(5-chloro-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carbonitrile

4-(5-chloro-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carbonitrile (PubChem CID 22123092) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 4-(5-chloro-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carbonitrile.

Molecular Properties

Compound Name4-(5-chloro-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carbonitrile
PubChem CID22123092
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name4-(5-chloro-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carbonitrile
SMILESCC1=C(n2cc(Cl)ccc2=O)c2cc(C#N)ccc2OC1(C)C
InChIInChI=1S/C18H15ClN2O2/c1-11-17(21-10-13(19)5-7-16(21)22)14-8-12(9-20)4-6-15(14)23-18(11,2)3/h4-8,10H,1-3H3
InChIKeyGHVNCUOLTAXCOL-UHFFFAOYSA-N
XLogP3.82
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(5-chloro-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-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

2,2,3-trimethyl-4-(5-oxo-6-sulfanylidene-2H-pyridin-1-yl)chromene-6-carbonitrile
CID 22122804
2,2-dimethyl-3-(methylaminomethyl)-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile
CID 15228743
3-(diethylaminomethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile
CID 15228746
2,2-dimethyl-3-methylidene-4-oxochromene-6-carbonitrile
CID 14517982
3-[[ethyl(hydroxy)amino]methyl]-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile
CID 19386937
4-(3,5-dichloro-4-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile
CID 14511115
4-[5-(bromomethyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile
CID 139649527
2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide
CID 14518004
2,2,3-trimethyl-4-[(6-sulfanylidene-1H-pyridazin-3-yl)sulfanyl]chromene-6-carbonitrile
CID 22122906
methyl 4-(4-hydroxy-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carboxylate
CID 57242305
methyl 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxylate
CID 22122789
3-(ethylaminomethyl)-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile
CID 19386906

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carbonitrile?
The IUPAC name of 4-(5-chloro-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carbonitrile (CID 22123092) is 4-(5-chloro-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carbonitrile.
What is the SMILES notation for 4-(5-chloro-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carbonitrile?
The canonical SMILES for 4-(5-chloro-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carbonitrile is CC1=C(n2cc(Cl)ccc2=O)c2cc(C#N)ccc2OC1(C)C.
What is the InChIKey of 4-(5-chloro-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carbonitrile?
The InChIKey is GHVNCUOLTAXCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-11-17(21-10-13(19)5-7-16(21)22)14-8-12(9-20)4-6-15(14)23-18(11,2)3/h4-8,10H,1-3H3.
What are the key properties of 4-(5-chloro-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carbonitrile?
4-(5-chloro-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carbonitrile has a molecular weight of 326.78 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carbonitrile is sourced from PubChem (CID 22123092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).