5-chloro-N-(2,6-dichloro-3-pyridinyl)-2-hydroxybenzamide

C12H7Cl3N2O2 — CID 168876078

IUPAC5-chloro-N-(2,6-dichloro-3-pyridinyl)-2-hydroxybenzamide
SMILESO=C(Nc1ccc(Cl)nc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C12H7Cl3N2O2/c13-6-1-3-9(18)7(5-6)12(19)16-8-2-4-10(14)17-11(8)15/h1-5,18H,(H,16,19)
InChIKeyIRWDUSZCXZJUMW-UHFFFAOYSA-N
MW317.56 g/mol
LogP4.00
Rot. Bonds2

About 5-chloro-N-(2,6-dichloro-3-pyridinyl)-2-hydroxybenzamide

5-chloro-N-(2,6-dichloro-3-pyridinyl)-2-hydroxybenzamide (PubChem CID 168876078) has the molecular formula C12H7Cl3N2O2 and a molecular weight of 317.56 g/mol. Its IUPAC name is 5-chloro-N-(2,6-dichloro-3-pyridinyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(2,6-dichloro-3-pyridinyl)-2-hydroxybenzamide
PubChem CID168876078
Molecular FormulaC12H7Cl3N2O2
Molecular Weight317.56 g/mol
Exact Mass315.96
IUPAC Name5-chloro-N-(2,6-dichloro-3-pyridinyl)-2-hydroxybenzamide
SMILESO=C(Nc1ccc(Cl)nc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C12H7Cl3N2O2/c13-6-1-3-9(18)7(5-6)12(19)16-8-2-4-10(14)17-11(8)15/h1-5,18H,(H,16,19)
InChIKeyIRWDUSZCXZJUMW-UHFFFAOYSA-N
XLogP4.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.56
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,6-dichloro-3-pyridinyl)-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-(2,6-dichloro-3-pyridinyl)-2-hydroxybenzamide (CID 168876078) is 5-chloro-N-(2,6-dichloro-3-pyridinyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-(2,6-dichloro-3-pyridinyl)-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-(2,6-dichloro-3-pyridinyl)-2-hydroxybenzamide is O=C(Nc1ccc(Cl)nc1Cl)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-(2,6-dichloro-3-pyridinyl)-2-hydroxybenzamide?
The InChIKey is IRWDUSZCXZJUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O2/c13-6-1-3-9(18)7(5-6)12(19)16-8-2-4-10(14)17-11(8)15/h1-5,18H,(H,16,19).
What are the key properties of 5-chloro-N-(2,6-dichloro-3-pyridinyl)-2-hydroxybenzamide?
5-chloro-N-(2,6-dichloro-3-pyridinyl)-2-hydroxybenzamide has a molecular weight of 317.56 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,6-dichloro-3-pyridinyl)-2-hydroxybenzamide is sourced from PubChem (CID 168876078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).