3-(6-chloro-5-nitro-2-pyridinyl)propan-1-amine

C8H10ClN3O2 — CID 83886860

IUPAC3-(6-chloro-5-nitro-2-pyridinyl)propan-1-amine
SMILESNCCCc1ccc([N+](=O)[O-])c(Cl)n1
InChIInChI=1S/C8H10ClN3O2/c9-8-7(12(13)14)4-3-6(11-8)2-1-5-10/h3-4H,1-2,5,10H2
InChIKeyUDIDFOVXXDHWLV-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.53
Rot. Bonds4

About 3-(6-chloro-5-nitro-2-pyridinyl)propan-1-amine

3-(6-chloro-5-nitro-2-pyridinyl)propan-1-amine (PubChem CID 83886860) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 3-(6-chloro-5-nitro-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name3-(6-chloro-5-nitro-2-pyridinyl)propan-1-amine
PubChem CID83886860
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name3-(6-chloro-5-nitro-2-pyridinyl)propan-1-amine
SMILESNCCCc1ccc([N+](=O)[O-])c(Cl)n1
InChIInChI=1S/C8H10ClN3O2/c9-8-7(12(13)14)4-3-6(11-8)2-1-5-10/h3-4H,1-2,5,10H2
InChIKeyUDIDFOVXXDHWLV-UHFFFAOYSA-N
XLogP1.53
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-(6-chloro-5-nitro-2-pyridinyl)propan-1-amine?
The IUPAC name of 3-(6-chloro-5-nitro-2-pyridinyl)propan-1-amine (CID 83886860) is 3-(6-chloro-5-nitro-2-pyridinyl)propan-1-amine.
What is the SMILES notation for 3-(6-chloro-5-nitro-2-pyridinyl)propan-1-amine?
The canonical SMILES for 3-(6-chloro-5-nitro-2-pyridinyl)propan-1-amine is NCCCc1ccc([N+](=O)[O-])c(Cl)n1.
What is the InChIKey of 3-(6-chloro-5-nitro-2-pyridinyl)propan-1-amine?
The InChIKey is UDIDFOVXXDHWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c9-8-7(12(13)14)4-3-6(11-8)2-1-5-10/h3-4H,1-2,5,10H2.
What are the key properties of 3-(6-chloro-5-nitro-2-pyridinyl)propan-1-amine?
3-(6-chloro-5-nitro-2-pyridinyl)propan-1-amine has a molecular weight of 215.64 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-5-nitro-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 83886860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).