2-N-(5-chloro-3-nitro-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine

C11H15ClN4O2 — CID 115308283

IUPAC2-N-(5-chloro-3-nitro-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine
SMILESCC(CN)(Nc1ncc(Cl)cc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C11H15ClN4O2/c1-11(6-13,7-2-3-7)15-10-9(16(17)18)4-8(12)5-14-10/h4-5,7H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyRNQHHAZAADSIPB-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.18
Rot. Bonds5

About 2-N-(5-chloro-3-nitro-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine

2-N-(5-chloro-3-nitro-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine (PubChem CID 115308283) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-N-(5-chloro-3-nitro-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-3-nitro-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine
PubChem CID115308283
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name2-N-(5-chloro-3-nitro-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine
SMILESCC(CN)(Nc1ncc(Cl)cc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C11H15ClN4O2/c1-11(6-13,7-2-3-7)15-10-9(16(17)18)4-8(12)5-14-10/h4-5,7H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyRNQHHAZAADSIPB-UHFFFAOYSA-N
XLogP2.18
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-N-(5-chloro-3-nitro-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine?
The IUPAC name of 2-N-(5-chloro-3-nitro-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine (CID 115308283) is 2-N-(5-chloro-3-nitro-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(5-chloro-3-nitro-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine?
The canonical SMILES for 2-N-(5-chloro-3-nitro-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine is CC(CN)(Nc1ncc(Cl)cc1[N+](=O)[O-])C1CC1.
What is the InChIKey of 2-N-(5-chloro-3-nitro-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine?
The InChIKey is RNQHHAZAADSIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-11(6-13,7-2-3-7)15-10-9(16(17)18)4-8(12)5-14-10/h4-5,7H,2-3,6,13H2,1H3,(H,14,15).
What are the key properties of 2-N-(5-chloro-3-nitro-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine?
2-N-(5-chloro-3-nitro-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine has a molecular weight of 270.72 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-3-nitro-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine is sourced from PubChem (CID 115308283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).