2-chloro-4-nitro-N-pyridin-3-ylpyridin-3-amine

C10H7ClN4O2 — CID 166441182

IUPAC2-chloro-4-nitro-N-pyridin-3-ylpyridin-3-amine
SMILESO=[N+]([O-])c1ccnc(Cl)c1Nc1cccnc1
InChIInChI=1S/C10H7ClN4O2/c11-10-9(8(15(16)17)3-5-13-10)14-7-2-1-4-12-6-7/h1-6,14H
InChIKeyPDZKMWOBHXWUPR-UHFFFAOYSA-N
MW250.65 g/mol
LogP2.78
Rot. Bonds3

About 2-chloro-4-nitro-N-pyridin-3-ylpyridin-3-amine

2-chloro-4-nitro-N-pyridin-3-ylpyridin-3-amine (PubChem CID 166441182) has the molecular formula C10H7ClN4O2 and a molecular weight of 250.65 g/mol. Its IUPAC name is 2-chloro-4-nitro-N-pyridin-3-ylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-nitro-N-pyridin-3-ylpyridin-3-amine
PubChem CID166441182
Molecular FormulaC10H7ClN4O2
Molecular Weight250.65 g/mol
Exact Mass250.03
IUPAC Name2-chloro-4-nitro-N-pyridin-3-ylpyridin-3-amine
SMILESO=[N+]([O-])c1ccnc(Cl)c1Nc1cccnc1
InChIInChI=1S/C10H7ClN4O2/c11-10-9(8(15(16)17)3-5-13-10)14-7-2-1-4-12-6-7/h1-6,14H
InChIKeyPDZKMWOBHXWUPR-UHFFFAOYSA-N
XLogP2.78
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.65
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 2-chloro-4-nitro-N-pyridin-3-ylpyridin-3-amine?
The IUPAC name of 2-chloro-4-nitro-N-pyridin-3-ylpyridin-3-amine (CID 166441182) is 2-chloro-4-nitro-N-pyridin-3-ylpyridin-3-amine.
What is the SMILES notation for 2-chloro-4-nitro-N-pyridin-3-ylpyridin-3-amine?
The canonical SMILES for 2-chloro-4-nitro-N-pyridin-3-ylpyridin-3-amine is O=[N+]([O-])c1ccnc(Cl)c1Nc1cccnc1.
What is the InChIKey of 2-chloro-4-nitro-N-pyridin-3-ylpyridin-3-amine?
The InChIKey is PDZKMWOBHXWUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O2/c11-10-9(8(15(16)17)3-5-13-10)14-7-2-1-4-12-6-7/h1-6,14H.
What are the key properties of 2-chloro-4-nitro-N-pyridin-3-ylpyridin-3-amine?
2-chloro-4-nitro-N-pyridin-3-ylpyridin-3-amine has a molecular weight of 250.65 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-nitro-N-pyridin-3-ylpyridin-3-amine is sourced from PubChem (CID 166441182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).