5-chloro-N-(dipyridin-2-ylmethylideneamino)-2-hydroxybenzamide

C18H13ClN4O2 — CID 162738342

IUPAC5-chloro-N-(dipyridin-2-ylmethylideneamino)-2-hydroxybenzamide
SMILESO=C(NN=C(c1ccccn1)c1ccccn1)c1cc(Cl)ccc1O
InChIInChI=1S/C18H13ClN4O2/c19-12-7-8-16(24)13(11-12)18(25)23-22-17(14-5-1-3-9-20-14)15-6-2-4-10-21-15/h1-11,24H,(H,23,25)
InChIKeyFFCVKUMJZVGYJK-UHFFFAOYSA-N
MW352.78 g/mol
LogP3.02
Rot. Bonds4

About 5-chloro-N-(dipyridin-2-ylmethylideneamino)-2-hydroxybenzamide

5-chloro-N-(dipyridin-2-ylmethylideneamino)-2-hydroxybenzamide (PubChem CID 162738342) has the molecular formula C18H13ClN4O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is 5-chloro-N-(dipyridin-2-ylmethylideneamino)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(dipyridin-2-ylmethylideneamino)-2-hydroxybenzamide
PubChem CID162738342
Molecular FormulaC18H13ClN4O2
Molecular Weight352.78 g/mol
Exact Mass352.07
IUPAC Name5-chloro-N-(dipyridin-2-ylmethylideneamino)-2-hydroxybenzamide
SMILESO=C(NN=C(c1ccccn1)c1ccccn1)c1cc(Cl)ccc1O
InChIInChI=1S/C18H13ClN4O2/c19-12-7-8-16(24)13(11-12)18(25)23-22-17(14-5-1-3-9-20-14)15-6-2-4-10-21-15/h1-11,24H,(H,23,25)
InChIKeyFFCVKUMJZVGYJK-UHFFFAOYSA-N
XLogP3.02
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(dipyridin-2-ylmethylideneamino)-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-(dipyridin-2-ylmethylideneamino)-2-hydroxybenzamide (CID 162738342) is 5-chloro-N-(dipyridin-2-ylmethylideneamino)-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-(dipyridin-2-ylmethylideneamino)-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-(dipyridin-2-ylmethylideneamino)-2-hydroxybenzamide is O=C(NN=C(c1ccccn1)c1ccccn1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-(dipyridin-2-ylmethylideneamino)-2-hydroxybenzamide?
The InChIKey is FFCVKUMJZVGYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2/c19-12-7-8-16(24)13(11-12)18(25)23-22-17(14-5-1-3-9-20-14)15-6-2-4-10-21-15/h1-11,24H,(H,23,25).
What are the key properties of 5-chloro-N-(dipyridin-2-ylmethylideneamino)-2-hydroxybenzamide?
5-chloro-N-(dipyridin-2-ylmethylideneamino)-2-hydroxybenzamide has a molecular weight of 352.78 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(dipyridin-2-ylmethylideneamino)-2-hydroxybenzamide is sourced from PubChem (CID 162738342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).