5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid

C18H12Cl2N2O2 — CID 57479004

IUPAC5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1Nc1ccc(-c2ccccc2Cl)nc1
InChIInChI=1S/C18H12Cl2N2O2/c19-11-5-7-17(14(9-11)18(23)24)22-12-6-8-16(21-10-12)13-3-1-2-4-15(13)20/h1-10,22H,(H,23,24)
InChIKeyUGGDDWOKSJBCGJ-UHFFFAOYSA-N
MW359.21 g/mol
LogP5.50
Rot. Bonds4

About 5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid

5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid (PubChem CID 57479004) has the molecular formula C18H12Cl2N2O2 and a molecular weight of 359.21 g/mol. Its IUPAC name is 5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid
PubChem CID57479004
Molecular FormulaC18H12Cl2N2O2
Molecular Weight359.21 g/mol
Exact Mass358.03
IUPAC Name5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1Nc1ccc(-c2ccccc2Cl)nc1
InChIInChI=1S/C18H12Cl2N2O2/c19-11-5-7-17(14(9-11)18(23)24)22-12-6-8-16(21-10-12)13-3-1-2-4-15(13)20/h1-10,22H,(H,23,24)
InChIKeyUGGDDWOKSJBCGJ-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 5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid?
The IUPAC name of 5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid (CID 57479004) is 5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid is O=C(O)c1cc(Cl)ccc1Nc1ccc(-c2ccccc2Cl)nc1.
What is the InChIKey of 5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid?
The InChIKey is UGGDDWOKSJBCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O2/c19-11-5-7-17(14(9-11)18(23)24)22-12-6-8-16(21-10-12)13-3-1-2-4-15(13)20/h1-10,22H,(H,23,24).
What are the key properties of 5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid?
5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]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 5-chloro-2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]benzoic acid is sourced from PubChem (CID 57479004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).