5-cyano-4-(3,5-dichlorophenyl)-6-methylpyridine-2-carboxylic acid

C14H8Cl2N2O2 — CID 134083096

IUPAC5-cyano-4-(3,5-dichlorophenyl)-6-methylpyridine-2-carboxylic acid
SMILESCc1nc(C(=O)O)cc(-c2cc(Cl)cc(Cl)c2)c1C#N
InChIInChI=1S/C14H8Cl2N2O2/c1-7-12(6-17)11(5-13(18-7)14(19)20)8-2-9(15)4-10(16)3-8/h2-5H,1H3,(H,19,20)
InChIKeyIRUOEOJGUFLNJR-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.93
Rot. Bonds2

About 5-cyano-4-(3,5-dichlorophenyl)-6-methylpyridine-2-carboxylic acid

5-cyano-4-(3,5-dichlorophenyl)-6-methylpyridine-2-carboxylic acid (PubChem CID 134083096) has the molecular formula C14H8Cl2N2O2 and a molecular weight of 307.14 g/mol. Its IUPAC name is 5-cyano-4-(3,5-dichlorophenyl)-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-cyano-4-(3,5-dichlorophenyl)-6-methylpyridine-2-carboxylic acid
PubChem CID134083096
Molecular FormulaC14H8Cl2N2O2
Molecular Weight307.14 g/mol
Exact Mass306.00
IUPAC Name5-cyano-4-(3,5-dichlorophenyl)-6-methylpyridine-2-carboxylic acid
SMILESCc1nc(C(=O)O)cc(-c2cc(Cl)cc(Cl)c2)c1C#N
InChIInChI=1S/C14H8Cl2N2O2/c1-7-12(6-17)11(5-13(18-7)14(19)20)8-2-9(15)4-10(16)3-8/h2-5H,1H3,(H,19,20)
InChIKeyIRUOEOJGUFLNJR-UHFFFAOYSA-N
XLogP3.93
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-4-(3,5-dichlorophenyl)-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 5-cyano-4-(3,5-dichlorophenyl)-6-methylpyridine-2-carboxylic acid (CID 134083096) is 5-cyano-4-(3,5-dichlorophenyl)-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-cyano-4-(3,5-dichlorophenyl)-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 5-cyano-4-(3,5-dichlorophenyl)-6-methylpyridine-2-carboxylic acid is Cc1nc(C(=O)O)cc(-c2cc(Cl)cc(Cl)c2)c1C#N.
What is the InChIKey of 5-cyano-4-(3,5-dichlorophenyl)-6-methylpyridine-2-carboxylic acid?
The InChIKey is IRUOEOJGUFLNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2/c1-7-12(6-17)11(5-13(18-7)14(19)20)8-2-9(15)4-10(16)3-8/h2-5H,1H3,(H,19,20).
What are the key properties of 5-cyano-4-(3,5-dichlorophenyl)-6-methylpyridine-2-carboxylic acid?
5-cyano-4-(3,5-dichlorophenyl)-6-methylpyridine-2-carboxylic acid has a molecular weight of 307.14 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-4-(3,5-dichlorophenyl)-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 134083096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).