2-(2,6-dichloro-4-pyridin-4-ylanilino)pyridine-3-carboxylic acid

C17H11Cl2N3O2 — CID 153457704

IUPAC2-(2,6-dichloro-4-pyridin-4-ylanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1c(Cl)cc(-c2ccncc2)cc1Cl
InChIInChI=1S/C17H11Cl2N3O2/c18-13-8-11(10-3-6-20-7-4-10)9-14(19)15(13)22-16-12(17(23)24)2-1-5-21-16/h1-9H,(H,21,22)(H,23,24)
InChIKeyZZOMVIZLNBSDTK-UHFFFAOYSA-N
MW360.20 g/mol
LogP4.89
Rot. Bonds4

About 2-(2,6-dichloro-4-pyridin-4-ylanilino)pyridine-3-carboxylic acid

2-(2,6-dichloro-4-pyridin-4-ylanilino)pyridine-3-carboxylic acid (PubChem CID 153457704) has the molecular formula C17H11Cl2N3O2 and a molecular weight of 360.20 g/mol. Its IUPAC name is 2-(2,6-dichloro-4-pyridin-4-ylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,6-dichloro-4-pyridin-4-ylanilino)pyridine-3-carboxylic acid
PubChem CID153457704
Molecular FormulaC17H11Cl2N3O2
Molecular Weight360.20 g/mol
Exact Mass359.02
IUPAC Name2-(2,6-dichloro-4-pyridin-4-ylanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1c(Cl)cc(-c2ccncc2)cc1Cl
InChIInChI=1S/C17H11Cl2N3O2/c18-13-8-11(10-3-6-20-7-4-10)9-14(19)15(13)22-16-12(17(23)24)2-1-5-21-16/h1-9H,(H,21,22)(H,23,24)
InChIKeyZZOMVIZLNBSDTK-UHFFFAOYSA-N
XLogP4.89
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-4-pyridin-4-ylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2,6-dichloro-4-pyridin-4-ylanilino)pyridine-3-carboxylic acid (CID 153457704) is 2-(2,6-dichloro-4-pyridin-4-ylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,6-dichloro-4-pyridin-4-ylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,6-dichloro-4-pyridin-4-ylanilino)pyridine-3-carboxylic acid is O=C(O)c1cccnc1Nc1c(Cl)cc(-c2ccncc2)cc1Cl.
What is the InChIKey of 2-(2,6-dichloro-4-pyridin-4-ylanilino)pyridine-3-carboxylic acid?
The InChIKey is ZZOMVIZLNBSDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O2/c18-13-8-11(10-3-6-20-7-4-10)9-14(19)15(13)22-16-12(17(23)24)2-1-5-21-16/h1-9H,(H,21,22)(H,23,24).
What are the key properties of 2-(2,6-dichloro-4-pyridin-4-ylanilino)pyridine-3-carboxylic acid?
2-(2,6-dichloro-4-pyridin-4-ylanilino)pyridine-3-carboxylic acid has a molecular weight of 360.20 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-4-pyridin-4-ylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 153457704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).