N-(5-chloro-3-nitro-2-pyridinyl)acridin-9-amine

C18H11ClN4O2 — CID 52939676

IUPACN-(5-chloro-3-nitro-2-pyridinyl)acridin-9-amine
SMILESO=[N+]([O-])c1cc(Cl)cnc1Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C18H11ClN4O2/c19-11-9-16(23(24)25)18(20-10-11)22-17-12-5-1-3-7-14(12)21-15-8-4-2-6-13(15)17/h1-10H,(H,20,21,22)
InChIKeyREHJQBZLAZQUHZ-UHFFFAOYSA-N
MW350.77 g/mol
LogP5.09
Rot. Bonds3

About N-(5-chloro-3-nitro-2-pyridinyl)acridin-9-amine

N-(5-chloro-3-nitro-2-pyridinyl)acridin-9-amine (PubChem CID 52939676) has the molecular formula C18H11ClN4O2 and a molecular weight of 350.77 g/mol. Its IUPAC name is N-(5-chloro-3-nitro-2-pyridinyl)acridin-9-amine.

Molecular Properties

Compound NameN-(5-chloro-3-nitro-2-pyridinyl)acridin-9-amine
PubChem CID52939676
Molecular FormulaC18H11ClN4O2
Molecular Weight350.77 g/mol
Exact Mass350.06
IUPAC NameN-(5-chloro-3-nitro-2-pyridinyl)acridin-9-amine
SMILESO=[N+]([O-])c1cc(Cl)cnc1Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C18H11ClN4O2/c19-11-9-16(23(24)25)18(20-10-11)22-17-12-5-1-3-7-14(12)21-15-8-4-2-6-13(15)17/h1-10H,(H,20,21,22)
InChIKeyREHJQBZLAZQUHZ-UHFFFAOYSA-N
XLogP5.09
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.77
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-nitro-2-pyridinyl)acridin-9-amine?
The IUPAC name of N-(5-chloro-3-nitro-2-pyridinyl)acridin-9-amine (CID 52939676) is N-(5-chloro-3-nitro-2-pyridinyl)acridin-9-amine.
What is the SMILES notation for N-(5-chloro-3-nitro-2-pyridinyl)acridin-9-amine?
The canonical SMILES for N-(5-chloro-3-nitro-2-pyridinyl)acridin-9-amine is O=[N+]([O-])c1cc(Cl)cnc1Nc1c2ccccc2nc2ccccc12.
What is the InChIKey of N-(5-chloro-3-nitro-2-pyridinyl)acridin-9-amine?
The InChIKey is REHJQBZLAZQUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN4O2/c19-11-9-16(23(24)25)18(20-10-11)22-17-12-5-1-3-7-14(12)21-15-8-4-2-6-13(15)17/h1-10H,(H,20,21,22).
What are the key properties of N-(5-chloro-3-nitro-2-pyridinyl)acridin-9-amine?
N-(5-chloro-3-nitro-2-pyridinyl)acridin-9-amine has a molecular weight of 350.77 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-nitro-2-pyridinyl)acridin-9-amine is sourced from PubChem (CID 52939676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).