6-(2,5-dichlorothiophen-3-yl)-4-methyl-2-(2-oxopropoxy)pyridine-3-carbonitrile

C14H10Cl2N2O2S — CID 134824125

IUPAC6-(2,5-dichlorothiophen-3-yl)-4-methyl-2-(2-oxopropoxy)pyridine-3-carbonitrile
SMILESCC(=O)COc1nc(-c2cc(Cl)sc2Cl)cc(C)c1C#N
InChIInChI=1S/C14H10Cl2N2O2S/c1-7-3-11(9-4-12(15)21-13(9)16)18-14(10(7)5-17)20-6-8(2)19/h3-4H,6H2,1-2H3
InChIKeyRUYXQPTXDALILB-UHFFFAOYSA-N
MW341.22 g/mol
LogP4.26
Rot. Bonds4

About 6-(2,5-dichlorothiophen-3-yl)-4-methyl-2-(2-oxopropoxy)pyridine-3-carbonitrile

6-(2,5-dichlorothiophen-3-yl)-4-methyl-2-(2-oxopropoxy)pyridine-3-carbonitrile (PubChem CID 134824125) has the molecular formula C14H10Cl2N2O2S and a molecular weight of 341.22 g/mol. Its IUPAC name is 6-(2,5-dichlorothiophen-3-yl)-4-methyl-2-(2-oxopropoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2,5-dichlorothiophen-3-yl)-4-methyl-2-(2-oxopropoxy)pyridine-3-carbonitrile
PubChem CID134824125
Molecular FormulaC14H10Cl2N2O2S
Molecular Weight341.22 g/mol
Exact Mass339.98
IUPAC Name6-(2,5-dichlorothiophen-3-yl)-4-methyl-2-(2-oxopropoxy)pyridine-3-carbonitrile
SMILESCC(=O)COc1nc(-c2cc(Cl)sc2Cl)cc(C)c1C#N
InChIInChI=1S/C14H10Cl2N2O2S/c1-7-3-11(9-4-12(15)21-13(9)16)18-14(10(7)5-17)20-6-8(2)19/h3-4H,6H2,1-2H3
InChIKeyRUYXQPTXDALILB-UHFFFAOYSA-N
XLogP4.26
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyano-6-ethoxy-4-methyl-2-pyridinyl)acetamide
CID 11622644
2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetamide
CID 1229880
4-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)-6-phenylpyridine-3-carbonitrile
CID 10449619
(3-cyano-4-methyl-6-thiophen-2-yl-2-pyridinyl) 4-chlorobenzoate
CID 138858207
2-acetyl-4-chloro-6-methylbenzonitrile
CID 171004146
6-(hydroxymethyl)-2-methoxy-4-methylpyridine-3-carbonitrile
CID 67467633
2-(4-cyano-3,5-dimethylphenoxy)acetic acid
CID 141147610
tert-butyl 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)oxy]acetate
CID 154666939
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]pentanamide
CID 4145582
6-(aminomethyl)-2-chloro-4-methylpyridine-3-carbonitrile
CID 58106161
4,6-dimethyl-2-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
CID 62349314
methyl 3-cyano-4,6-dimethylpyridine-2-carboxylate
CID 130298670

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorothiophen-3-yl)-4-methyl-2-(2-oxopropoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-(2,5-dichlorothiophen-3-yl)-4-methyl-2-(2-oxopropoxy)pyridine-3-carbonitrile (CID 134824125) is 6-(2,5-dichlorothiophen-3-yl)-4-methyl-2-(2-oxopropoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2,5-dichlorothiophen-3-yl)-4-methyl-2-(2-oxopropoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-(2,5-dichlorothiophen-3-yl)-4-methyl-2-(2-oxopropoxy)pyridine-3-carbonitrile is CC(=O)COc1nc(-c2cc(Cl)sc2Cl)cc(C)c1C#N.
What is the InChIKey of 6-(2,5-dichlorothiophen-3-yl)-4-methyl-2-(2-oxopropoxy)pyridine-3-carbonitrile?
The InChIKey is RUYXQPTXDALILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2S/c1-7-3-11(9-4-12(15)21-13(9)16)18-14(10(7)5-17)20-6-8(2)19/h3-4H,6H2,1-2H3.
What are the key properties of 6-(2,5-dichlorothiophen-3-yl)-4-methyl-2-(2-oxopropoxy)pyridine-3-carbonitrile?
6-(2,5-dichlorothiophen-3-yl)-4-methyl-2-(2-oxopropoxy)pyridine-3-carbonitrile has a molecular weight of 341.22 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichlorothiophen-3-yl)-4-methyl-2-(2-oxopropoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 134824125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).