6-chloro-3-nitro-N-propan-2-ylpyridin-2-amine

C8H10ClN3O2 — CID 24903948

IUPAC6-chloro-3-nitro-N-propan-2-ylpyridin-2-amine
SMILESCC(C)Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H10ClN3O2/c1-5(2)10-8-6(12(13)14)3-4-7(9)11-8/h3-5H,1-2H3,(H,10,11)
InChIKeyBGSQZFPLKFOJHL-UHFFFAOYSA-N
MW215.64 g/mol
LogP2.46
Rot. Bonds3

About 6-chloro-3-nitro-N-propan-2-ylpyridin-2-amine

6-chloro-3-nitro-N-propan-2-ylpyridin-2-amine (PubChem CID 24903948) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 6-chloro-3-nitro-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-3-nitro-N-propan-2-ylpyridin-2-amine
PubChem CID24903948
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name6-chloro-3-nitro-N-propan-2-ylpyridin-2-amine
SMILESCC(C)Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H10ClN3O2/c1-5(2)10-8-6(12(13)14)3-4-7(9)11-8/h3-5H,1-2H3,(H,10,11)
InChIKeyBGSQZFPLKFOJHL-UHFFFAOYSA-N
XLogP2.46
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 52.46
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 6-chloro-3-nitro-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 6-chloro-3-nitro-N-propan-2-ylpyridin-2-amine (CID 24903948) is 6-chloro-3-nitro-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 6-chloro-3-nitro-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 6-chloro-3-nitro-N-propan-2-ylpyridin-2-amine is CC(C)Nc1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 6-chloro-3-nitro-N-propan-2-ylpyridin-2-amine?
The InChIKey is BGSQZFPLKFOJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-5(2)10-8-6(12(13)14)3-4-7(9)11-8/h3-5H,1-2H3,(H,10,11).
What are the key properties of 6-chloro-3-nitro-N-propan-2-ylpyridin-2-amine?
6-chloro-3-nitro-N-propan-2-ylpyridin-2-amine has a molecular weight of 215.64 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-nitro-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 24903948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).