2-(2,6-dichloro-4-pyridin-4-ylanilino)benzoic acid

C18H12Cl2N2O2 — CID 147699393

IUPAC2-(2,6-dichloro-4-pyridin-4-ylanilino)benzoic acid
SMILESO=C(O)c1ccccc1Nc1c(Cl)cc(-c2ccncc2)cc1Cl
InChIInChI=1S/C18H12Cl2N2O2/c19-14-9-12(11-5-7-21-8-6-11)10-15(20)17(14)22-16-4-2-1-3-13(16)18(23)24/h1-10,22H,(H,23,24)
InChIKeyGSNZPZDSMBVGPU-UHFFFAOYSA-N
MW359.21 g/mol
LogP5.50
Rot. Bonds4

About 2-(2,6-dichloro-4-pyridin-4-ylanilino)benzoic acid

2-(2,6-dichloro-4-pyridin-4-ylanilino)benzoic acid (PubChem CID 147699393) has the molecular formula C18H12Cl2N2O2 and a molecular weight of 359.21 g/mol. Its IUPAC name is 2-(2,6-dichloro-4-pyridin-4-ylanilino)benzoic acid.

Molecular Properties

Compound Name2-(2,6-dichloro-4-pyridin-4-ylanilino)benzoic acid
PubChem CID147699393
Molecular FormulaC18H12Cl2N2O2
Molecular Weight359.21 g/mol
Exact Mass358.03
IUPAC Name2-(2,6-dichloro-4-pyridin-4-ylanilino)benzoic acid
SMILESO=C(O)c1ccccc1Nc1c(Cl)cc(-c2ccncc2)cc1Cl
InChIInChI=1S/C18H12Cl2N2O2/c19-14-9-12(11-5-7-21-8-6-11)10-15(20)17(14)22-16-4-2-1-3-13(16)18(23)24/h1-10,22H,(H,23,24)
InChIKeyGSNZPZDSMBVGPU-UHFFFAOYSA-N
XLogP5.50
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.21
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-4-pyridin-4-ylanilino)benzoic acid?
The IUPAC name of 2-(2,6-dichloro-4-pyridin-4-ylanilino)benzoic acid (CID 147699393) is 2-(2,6-dichloro-4-pyridin-4-ylanilino)benzoic acid.
What is the SMILES notation for 2-(2,6-dichloro-4-pyridin-4-ylanilino)benzoic acid?
The canonical SMILES for 2-(2,6-dichloro-4-pyridin-4-ylanilino)benzoic acid is O=C(O)c1ccccc1Nc1c(Cl)cc(-c2ccncc2)cc1Cl.
What is the InChIKey of 2-(2,6-dichloro-4-pyridin-4-ylanilino)benzoic acid?
The InChIKey is GSNZPZDSMBVGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O2/c19-14-9-12(11-5-7-21-8-6-11)10-15(20)17(14)22-16-4-2-1-3-13(16)18(23)24/h1-10,22H,(H,23,24).
What are the key properties of 2-(2,6-dichloro-4-pyridin-4-ylanilino)benzoic acid?
2-(2,6-dichloro-4-pyridin-4-ylanilino)benzoic acid has a molecular weight of 359.21 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-4-pyridin-4-ylanilino)benzoic acid is sourced from PubChem (CID 147699393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).