6-chloro-N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine

C12H16ClN3O3 — CID 63833190

IUPAC6-chloro-N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1NCCOC1CCCC1
InChIInChI=1S/C12H16ClN3O3/c13-11-6-5-10(16(17)18)12(15-11)14-7-8-19-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,14,15)
InChIKeyNBWFPYNEZCGPQV-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.01
Rot. Bonds6

About 6-chloro-N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine

6-chloro-N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine (PubChem CID 63833190) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 6-chloro-N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
PubChem CID63833190
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name6-chloro-N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1NCCOC1CCCC1
InChIInChI=1S/C12H16ClN3O3/c13-11-6-5-10(16(17)18)12(15-11)14-7-8-19-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,14,15)
InChIKeyNBWFPYNEZCGPQV-UHFFFAOYSA-N
XLogP3.01
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

N-(2-cyclopentyloxyethyl)-6-methyl-3-nitropyridin-2-amine
CID 81138260
N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
CID 55031819
6-chloro-N-(2-ethoxyethyl)-3-nitropyridin-2-amine
CID 43591616
6-chloro-3-nitro-N-(2-propoxyethyl)pyridin-2-amine
CID 87810175
6-chloro-N-cyclohexyl-3-nitropyridin-2-amine
CID 43152693
6-chloro-2-(2-cyclopentyloxyethylamino)pyridine-3-carboxylic acid
CID 63827444
6-chloro-N-(3-methoxypropyl)-3-nitropyridin-2-amine
CID 43153390
6-N-(2-cyclopentyloxyethyl)-3-nitropyridine-2,6-diamine
CID 79815858
6-chloro-3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 63705752
6-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine
CID 114156896
6-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitropyridin-2-amine
CID 63549781
3-[(6-chloro-3-nitro-2-pyridinyl)amino]-N-cyclopropylpropanamide
CID 79401201

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine (CID 63833190) is 6-chloro-N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine is O=[N+]([O-])c1ccc(Cl)nc1NCCOC1CCCC1.
What is the InChIKey of 6-chloro-N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine?
The InChIKey is NBWFPYNEZCGPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c13-11-6-5-10(16(17)18)12(15-11)14-7-8-19-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,14,15).
What are the key properties of 6-chloro-N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine?
6-chloro-N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine has a molecular weight of 285.73 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 63833190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).