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

C8H10ClN3O2 — CID 83886862

IUPAC1-(6-chloro-5-nitro-2-pyridinyl)propan-2-amine
SMILESCC(N)Cc1ccc([N+](=O)[O-])c(Cl)n1
InChIInChI=1S/C8H10ClN3O2/c1-5(10)4-6-2-3-7(12(13)14)8(9)11-6/h2-3,5H,4,10H2,1H3
InChIKeyBCIWUOCMRZQOPD-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.53
Rot. Bonds3

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

1-(6-chloro-5-nitro-2-pyridinyl)propan-2-amine (PubChem CID 83886862) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 1-(6-chloro-5-nitro-2-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name1-(6-chloro-5-nitro-2-pyridinyl)propan-2-amine
PubChem CID83886862
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name1-(6-chloro-5-nitro-2-pyridinyl)propan-2-amine
SMILESCC(N)Cc1ccc([N+](=O)[O-])c(Cl)n1
InChIInChI=1S/C8H10ClN3O2/c1-5(10)4-6-2-3-7(12(13)14)8(9)11-6/h2-3,5H,4,10H2,1H3
InChIKeyBCIWUOCMRZQOPD-UHFFFAOYSA-N
XLogP1.53
TPSA82.05 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 ≤ 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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Related Compounds

3-(6-chloro-5-nitro-2-pyridinyl)propan-1-amine
CID 83886860
1-(2,6-dichloro-3-nitrophenyl)propan-2-amine
CID 131531071
6-chloro-5-nitropyridin-2-amine
CID 3069277
(2R)-1-(5-nitro-2-pyridinyl)propan-2-amine
CID 95028659
1-(6-amino-5-nitro-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 79816474
3-[(2R)-2-aminopropyl]-4-nitroaniline
CID 130744258
1-[2-(4-nitrophenyl)pyrimidin-4-yl]propan-2-amine
CID 62746794
1-(6-chloro-5-nitro-2-pyridinyl)propan-1-one
CID 164914777
6-chloro-5-nitropyridine-2-carboxylate
CID 6974574
6-chloro-3-nitro-2-propan-2-ylpyridine
CID 79079026
1-[1-[(2-nitrophenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721091
1-[1-[(2-chloro-6-nitrophenyl)methyl]imidazol-2-yl]propan-2-amine
CID 63745843

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-nitro-2-pyridinyl)propan-2-amine?
The IUPAC name of 1-(6-chloro-5-nitro-2-pyridinyl)propan-2-amine (CID 83886862) is 1-(6-chloro-5-nitro-2-pyridinyl)propan-2-amine.
What is the SMILES notation for 1-(6-chloro-5-nitro-2-pyridinyl)propan-2-amine?
The canonical SMILES for 1-(6-chloro-5-nitro-2-pyridinyl)propan-2-amine is CC(N)Cc1ccc([N+](=O)[O-])c(Cl)n1.
What is the InChIKey of 1-(6-chloro-5-nitro-2-pyridinyl)propan-2-amine?
The InChIKey is BCIWUOCMRZQOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-5(10)4-6-2-3-7(12(13)14)8(9)11-6/h2-3,5H,4,10H2,1H3.
What are the key properties of 1-(6-chloro-5-nitro-2-pyridinyl)propan-2-amine?
1-(6-chloro-5-nitro-2-pyridinyl)propan-2-amine has a molecular weight of 215.64 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-nitro-2-pyridinyl)propan-2-amine is sourced from PubChem (CID 83886862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).