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

C17H13ClN2O2 — CID 14511108

IUPAC4-(5-chloro-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile
SMILESCC1(C)C=C(n2cc(Cl)ccc2=O)c2cc(C#N)ccc2O1
InChIInChI=1S/C17H13ClN2O2/c1-17(2)8-14(20-10-12(18)4-6-16(20)21)13-7-11(9-19)3-5-15(13)22-17/h3-8,10H,1-2H3
InChIKeyDXKXUVZRBSDFPU-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.43
Rot. Bonds1

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

4-(5-chloro-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile (PubChem CID 14511108) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 4-(5-chloro-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile.

Molecular Properties

Compound Name4-(5-chloro-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile
PubChem CID14511108
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name4-(5-chloro-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile
SMILESCC1(C)C=C(n2cc(Cl)ccc2=O)c2cc(C#N)ccc2O1
InChIInChI=1S/C17H13ClN2O2/c1-17(2)8-14(20-10-12(18)4-6-16(20)21)13-7-11(9-19)3-5-15(13)22-17/h3-8,10H,1-2H3
InChIKeyDXKXUVZRBSDFPU-UHFFFAOYSA-N
XLogP3.43
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile?
The IUPAC name of 4-(5-chloro-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile (CID 14511108) is 4-(5-chloro-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile.
What is the SMILES notation for 4-(5-chloro-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile?
The canonical SMILES for 4-(5-chloro-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile is CC1(C)C=C(n2cc(Cl)ccc2=O)c2cc(C#N)ccc2O1.
What is the InChIKey of 4-(5-chloro-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile?
The InChIKey is DXKXUVZRBSDFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-17(2)8-14(20-10-12(18)4-6-16(20)21)13-7-11(9-19)3-5-15(13)22-17/h3-8,10H,1-2H3.
What are the key properties of 4-(5-chloro-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile?
4-(5-chloro-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile has a molecular weight of 312.76 g/mol, XLogP of 3.43, 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-dimethylchromene-6-carbonitrile is sourced from PubChem (CID 14511108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).