4-(3,5-dichloro-4-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile

C17H12Cl2N2O2 — CID 14511115

IUPAC4-(3,5-dichloro-4-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile
SMILESCC1(C)C=C(n2cc(Cl)c(=O)c(Cl)c2)c2cc(C#N)ccc2O1
InChIInChI=1S/C17H12Cl2N2O2/c1-17(2)6-14(21-8-12(18)16(22)13(19)9-21)11-5-10(7-20)3-4-15(11)23-17/h3-6,8-9H,1-2H3
InChIKeySYVUDDSMSAZWFC-UHFFFAOYSA-N
MW347.20 g/mol
LogP4.09
Rot. Bonds1

About 4-(3,5-dichloro-4-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile

4-(3,5-dichloro-4-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile (PubChem CID 14511115) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is 4-(3,5-dichloro-4-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile.

Molecular Properties

Compound Name4-(3,5-dichloro-4-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile
PubChem CID14511115
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC Name4-(3,5-dichloro-4-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile
SMILESCC1(C)C=C(n2cc(Cl)c(=O)c(Cl)c2)c2cc(C#N)ccc2O1
InChIInChI=1S/C17H12Cl2N2O2/c1-17(2)6-14(21-8-12(18)16(22)13(19)9-21)11-5-10(7-20)3-4-15(11)23-17/h3-6,8-9H,1-2H3
InChIKeySYVUDDSMSAZWFC-UHFFFAOYSA-N
XLogP4.09
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloro-4-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile?
The IUPAC name of 4-(3,5-dichloro-4-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile (CID 14511115) is 4-(3,5-dichloro-4-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile.
What is the SMILES notation for 4-(3,5-dichloro-4-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile?
The canonical SMILES for 4-(3,5-dichloro-4-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile is CC1(C)C=C(n2cc(Cl)c(=O)c(Cl)c2)c2cc(C#N)ccc2O1.
What is the InChIKey of 4-(3,5-dichloro-4-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile?
The InChIKey is SYVUDDSMSAZWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c1-17(2)6-14(21-8-12(18)16(22)13(19)9-21)11-5-10(7-20)3-4-15(11)23-17/h3-6,8-9H,1-2H3.
What are the key properties of 4-(3,5-dichloro-4-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile?
4-(3,5-dichloro-4-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile has a molecular weight of 347.20 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloro-4-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile is sourced from PubChem (CID 14511115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).