6-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine

C11H14ClN3O3 — CID 114156896

IUPAC6-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine
SMILESC=C(C)COCCNc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14ClN3O3/c1-8(2)7-18-6-5-13-11-9(15(16)17)3-4-10(12)14-11/h3-4H,1,5-7H2,2H3,(H,13,14)
InChIKeyZFCJONUUXIVJSP-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.65
Rot. Bonds7

About 6-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine

6-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine (PubChem CID 114156896) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 6-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine
PubChem CID114156896
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name6-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine
SMILESC=C(C)COCCNc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14ClN3O3/c1-8(2)7-18-6-5-13-11-9(15(16)17)3-4-10(12)14-11/h3-4H,1,5-7H2,2H3,(H,13,14)
InChIKeyZFCJONUUXIVJSP-UHFFFAOYSA-N
XLogP2.65
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.65
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine
CID 115715261
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-(3-methoxypropyl)-3-nitropyridin-2-amine
CID 43153390
6-chloro-N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
CID 63833190
N-but-3-enyl-6-chloro-3-nitropyridin-2-amine
CID 106196186
6-chloro-3-nitro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 106013741
2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid
CID 115321260
6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61167871
6-chloro-N-(5-methylhexyl)-3-nitropyridin-2-amine
CID 115326770
ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate
CID 15617221
N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitro-3-(trifluoromethyl)aniline
CID 115698626

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine (CID 114156896) is 6-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine is C=C(C)COCCNc1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 6-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine?
The InChIKey is ZFCJONUUXIVJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-8(2)7-18-6-5-13-11-9(15(16)17)3-4-10(12)14-11/h3-4H,1,5-7H2,2H3,(H,13,14).
What are the key properties of 6-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine?
6-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine has a molecular weight of 271.70 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 114156896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).