5-chloro-6-(3,5-dichloroanilino)pyridine-3-carboxylic acid

C12H7Cl3N2O2 — CID 29295941

IUPAC5-chloro-6-(3,5-dichloroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Nc2cc(Cl)cc(Cl)c2)c(Cl)c1
InChIInChI=1S/C12H7Cl3N2O2/c13-7-2-8(14)4-9(3-7)17-11-10(15)1-6(5-16-11)12(18)19/h1-5H,(H,16,17)(H,18,19)
InChIKeyJJDWONPBLDGBSZ-UHFFFAOYSA-N
MW317.56 g/mol
LogP4.48
Rot. Bonds3

About 5-chloro-6-(3,5-dichloroanilino)pyridine-3-carboxylic acid

5-chloro-6-(3,5-dichloroanilino)pyridine-3-carboxylic acid (PubChem CID 29295941) has the molecular formula C12H7Cl3N2O2 and a molecular weight of 317.56 g/mol. Its IUPAC name is 5-chloro-6-(3,5-dichloroanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(3,5-dichloroanilino)pyridine-3-carboxylic acid
PubChem CID29295941
Molecular FormulaC12H7Cl3N2O2
Molecular Weight317.56 g/mol
Exact Mass315.96
IUPAC Name5-chloro-6-(3,5-dichloroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Nc2cc(Cl)cc(Cl)c2)c(Cl)c1
InChIInChI=1S/C12H7Cl3N2O2/c13-7-2-8(14)4-9(3-7)17-11-10(15)1-6(5-16-11)12(18)19/h1-5H,(H,16,17)(H,18,19)
InChIKeyJJDWONPBLDGBSZ-UHFFFAOYSA-N
XLogP4.48
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.56
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-(3-fluoro-5-methylanilino)pyridine-3-carboxylic acid
CID 79049585
6-[(5-bromo-3-pyridinyl)amino]-5-chloropyridine-3-carboxylic acid
CID 114222384
5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid
CID 28967987
5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid
CID 107607031
5-chloro-6-(4-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 114256027
5-chloro-6-[3-(dimethylamino)anilino]pyridine-3-carboxylic acid
CID 115378021
5-chloro-6-[3-(dimethylamino)-4-methylanilino]pyridine-3-carboxylic acid
CID 115378070
5-chloro-N-(3,5-dichlorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62172945
5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid
CID 64597735
2-(2,4,6-trichlorophenyl)pyrimidine-5-carboxylic acid
CID 118830549
5-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxylic acid
CID 79249861
5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid
CID 115407319

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(3,5-dichloroanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(3,5-dichloroanilino)pyridine-3-carboxylic acid (CID 29295941) is 5-chloro-6-(3,5-dichloroanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(3,5-dichloroanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(3,5-dichloroanilino)pyridine-3-carboxylic acid is O=C(O)c1cnc(Nc2cc(Cl)cc(Cl)c2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-(3,5-dichloroanilino)pyridine-3-carboxylic acid?
The InChIKey is JJDWONPBLDGBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O2/c13-7-2-8(14)4-9(3-7)17-11-10(15)1-6(5-16-11)12(18)19/h1-5H,(H,16,17)(H,18,19).
What are the key properties of 5-chloro-6-(3,5-dichloroanilino)pyridine-3-carboxylic acid?
5-chloro-6-(3,5-dichloroanilino)pyridine-3-carboxylic acid has a molecular weight of 317.56 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(3,5-dichloroanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 29295941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).