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

C9H12ClN3O3 — CID 43591616

IUPAC6-chloro-N-(2-ethoxyethyl)-3-nitropyridin-2-amine
SMILESCCOCCNc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H12ClN3O3/c1-2-16-6-5-11-9-7(13(14)15)3-4-8(10)12-9/h3-4H,2,5-6H2,1H3,(H,11,12)
InChIKeyWAOLRLSPLDUYHM-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.09
Rot. Bonds6

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

6-chloro-N-(2-ethoxyethyl)-3-nitropyridin-2-amine (PubChem CID 43591616) has the molecular formula C9H12ClN3O3 and a molecular weight of 245.67 g/mol. Its IUPAC name is 6-chloro-N-(2-ethoxyethyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2-ethoxyethyl)-3-nitropyridin-2-amine
PubChem CID43591616
Molecular FormulaC9H12ClN3O3
Molecular Weight245.67 g/mol
Exact Mass245.06
IUPAC Name6-chloro-N-(2-ethoxyethyl)-3-nitropyridin-2-amine
SMILESCCOCCNc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H12ClN3O3/c1-2-16-6-5-11-9-7(13(14)15)3-4-8(10)12-9/h3-4H,2,5-6H2,1H3,(H,11,12)
InChIKeyWAOLRLSPLDUYHM-UHFFFAOYSA-N
XLogP2.09
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.09
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

6-chloro-3-nitro-N-(2-propoxyethyl)pyridin-2-amine
CID 87810175
6-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine
CID 114156896
6-chloro-N-(3-methoxypropyl)-3-nitropyridin-2-amine
CID 43153390
6-chloro-N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
CID 63833190
N-(6-chloro-3-nitro-2-pyridinyl)-4-ethoxybutanamide
CID 104820471
6-chloro-3-nitro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 106013741
ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate
CID 15617221
6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61167871
2-N-(2-butoxyethyl)-3-nitropyridine-2,6-diamine
CID 80819270
N-but-3-enyl-6-chloro-3-nitropyridin-2-amine
CID 106196186
6-chloro-N-(5-methylhexyl)-3-nitropyridin-2-amine
CID 115326770
2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771809

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-ethoxyethyl)-3-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-(2-ethoxyethyl)-3-nitropyridin-2-amine (CID 43591616) is 6-chloro-N-(2-ethoxyethyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(2-ethoxyethyl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-(2-ethoxyethyl)-3-nitropyridin-2-amine is CCOCCNc1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 6-chloro-N-(2-ethoxyethyl)-3-nitropyridin-2-amine?
The InChIKey is WAOLRLSPLDUYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3/c1-2-16-6-5-11-9-7(13(14)15)3-4-8(10)12-9/h3-4H,2,5-6H2,1H3,(H,11,12).
What are the key properties of 6-chloro-N-(2-ethoxyethyl)-3-nitropyridin-2-amine?
6-chloro-N-(2-ethoxyethyl)-3-nitropyridin-2-amine has a molecular weight of 245.67 g/mol, XLogP of 2.09, 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-ethoxyethyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 43591616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).