5-(3-chloro-4-pyridinyl)-3-nitro-6-pyridin-4-ylpyridin-2-amine

C15H10ClN5O2 — CID 59596011

IUPAC5-(3-chloro-4-pyridinyl)-3-nitro-6-pyridin-4-ylpyridin-2-amine
SMILESNc1nc(-c2ccncc2)c(-c2ccncc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H10ClN5O2/c16-12-8-19-6-3-10(12)11-7-13(21(22)23)15(17)20-14(11)9-1-4-18-5-2-9/h1-8H,(H2,17,20)
InChIKeyLHLQPJBGBOHXTQ-UHFFFAOYSA-N
MW327.73 g/mol
LogP3.35
Rot. Bonds3

About 5-(3-chloro-4-pyridinyl)-3-nitro-6-pyridin-4-ylpyridin-2-amine

5-(3-chloro-4-pyridinyl)-3-nitro-6-pyridin-4-ylpyridin-2-amine (PubChem CID 59596011) has the molecular formula C15H10ClN5O2 and a molecular weight of 327.73 g/mol. Its IUPAC name is 5-(3-chloro-4-pyridinyl)-3-nitro-6-pyridin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name5-(3-chloro-4-pyridinyl)-3-nitro-6-pyridin-4-ylpyridin-2-amine
PubChem CID59596011
Molecular FormulaC15H10ClN5O2
Molecular Weight327.73 g/mol
Exact Mass327.05
IUPAC Name5-(3-chloro-4-pyridinyl)-3-nitro-6-pyridin-4-ylpyridin-2-amine
SMILESNc1nc(-c2ccncc2)c(-c2ccncc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H10ClN5O2/c16-12-8-19-6-3-10(12)11-7-13(21(22)23)15(17)20-14(11)9-1-4-18-5-2-9/h1-8H,(H2,17,20)
InChIKeyLHLQPJBGBOHXTQ-UHFFFAOYSA-N
XLogP3.35
TPSA107.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.73
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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-(3-chloro-4-pyridinyl)-3-nitro-6-pyridin-4-ylpyridin-2-amine?
The IUPAC name of 5-(3-chloro-4-pyridinyl)-3-nitro-6-pyridin-4-ylpyridin-2-amine (CID 59596011) is 5-(3-chloro-4-pyridinyl)-3-nitro-6-pyridin-4-ylpyridin-2-amine.
What is the SMILES notation for 5-(3-chloro-4-pyridinyl)-3-nitro-6-pyridin-4-ylpyridin-2-amine?
The canonical SMILES for 5-(3-chloro-4-pyridinyl)-3-nitro-6-pyridin-4-ylpyridin-2-amine is Nc1nc(-c2ccncc2)c(-c2ccncc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of 5-(3-chloro-4-pyridinyl)-3-nitro-6-pyridin-4-ylpyridin-2-amine?
The InChIKey is LHLQPJBGBOHXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5O2/c16-12-8-19-6-3-10(12)11-7-13(21(22)23)15(17)20-14(11)9-1-4-18-5-2-9/h1-8H,(H2,17,20).
What are the key properties of 5-(3-chloro-4-pyridinyl)-3-nitro-6-pyridin-4-ylpyridin-2-amine?
5-(3-chloro-4-pyridinyl)-3-nitro-6-pyridin-4-ylpyridin-2-amine has a molecular weight of 327.73 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-pyridinyl)-3-nitro-6-pyridin-4-ylpyridin-2-amine is sourced from PubChem (CID 59596011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).