5-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid

C13H8ClN3O2 — CID 114003530

IUPAC5-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid
SMILESN#Cc1ccc(Nc2ccc(C(=O)O)nc2)c(Cl)c1
InChIInChI=1S/C13H8ClN3O2/c14-10-5-8(6-15)1-3-11(10)17-9-2-4-12(13(18)19)16-7-9/h1-5,7,17H,(H,18,19)
InChIKeyQSTUTRGEFCAUPJ-UHFFFAOYSA-N
MW273.68 g/mol
LogP3.05
Rot. Bonds3

About 5-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid

5-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid (PubChem CID 114003530) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is 5-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid
PubChem CID114003530
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name5-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid
SMILESN#Cc1ccc(Nc2ccc(C(=O)O)nc2)c(Cl)c1
InChIInChI=1S/C13H8ClN3O2/c14-10-5-8(6-15)1-3-11(10)17-9-2-4-12(13(18)19)16-7-9/h1-5,7,17H,(H,18,19)
InChIKeyQSTUTRGEFCAUPJ-UHFFFAOYSA-N
XLogP3.05
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid
CID 107808817
5-chloro-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 103811024
6-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid
CID 107808831
N-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide
CID 109199438
5-(2-chloro-4-cyanoanilino)-1,3-thiazole-4-carboxylic acid
CID 114003637
N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 63719479
3-chloro-4-(3,5-dichloroanilino)benzonitrile
CID 63509890
N-(2-chloro-5-cyanophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104641827
3-amino-4-(2-chloro-4-cyanoanilino)benzoic acid
CID 107809752
1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea
CID 107808221
5-(4-fluoro-2-iodoanilino)pyridine-2-carboxylic acid
CID 104638940
5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109199236

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid?
The IUPAC name of 5-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid (CID 114003530) is 5-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid is N#Cc1ccc(Nc2ccc(C(=O)O)nc2)c(Cl)c1.
What is the InChIKey of 5-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid?
The InChIKey is QSTUTRGEFCAUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-10-5-8(6-15)1-3-11(10)17-9-2-4-12(13(18)19)16-7-9/h1-5,7,17H,(H,18,19).
What are the key properties of 5-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid?
5-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid has a molecular weight of 273.68 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 114003530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).