N-(2-but-3-enoxyethyl)-6-chloro-4-nitropyridin-2-amine

C11H14ClN3O3 — CID 103889042

IUPACN-(2-but-3-enoxyethyl)-6-chloro-4-nitropyridin-2-amine
SMILESC=CCCOCCNc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C11H14ClN3O3/c1-2-3-5-18-6-4-13-11-8-9(15(16)17)7-10(12)14-11/h2,7-8H,1,3-6H2,(H,13,14)
InChIKeyVZYPGLCHCRLXRK-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.65
Rot. Bonds8

About N-(2-but-3-enoxyethyl)-6-chloro-4-nitropyridin-2-amine

N-(2-but-3-enoxyethyl)-6-chloro-4-nitropyridin-2-amine (PubChem CID 103889042) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-6-chloro-4-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-6-chloro-4-nitropyridin-2-amine
PubChem CID103889042
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC NameN-(2-but-3-enoxyethyl)-6-chloro-4-nitropyridin-2-amine
SMILESC=CCCOCCNc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C11H14ClN3O3/c1-2-3-5-18-6-4-13-11-8-9(15(16)17)7-10(12)14-11/h2,7-8H,1,3-6H2,(H,13,14)
InChIKeyVZYPGLCHCRLXRK-UHFFFAOYSA-N
XLogP2.65
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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'}

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Related Compounds

6-chloro-N-[2-(cyclopropylmethoxy)ethyl]-4-nitropyridin-2-amine
CID 103888650
2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol
CID 103888263
N-(2-but-3-enoxyethyl)-2-tert-butyl-6-chloropyrimidin-4-amine
CID 106405828
N-(2-but-3-enoxyethyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine
CID 114184791
6-chloro-4-nitro-N-(5,5,5-trifluoropentyl)pyridin-2-amine
CID 103889013
N-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 103911726
2-but-3-enoxy-N-[(3-fluoro-5-nitrophenyl)methyl]ethanamine
CID 106401328
1-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-3-ol
CID 103888980
N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-4-nitropyridin-2-amine
CID 114139533
N-(2-but-3-enoxyethyl)-4,5-dimethoxy-2-nitroaniline
CID 106404833
6-chloro-4-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 103888685
6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine
CID 113345971

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-6-chloro-4-nitropyridin-2-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-6-chloro-4-nitropyridin-2-amine (CID 103889042) is N-(2-but-3-enoxyethyl)-6-chloro-4-nitropyridin-2-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-6-chloro-4-nitropyridin-2-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-6-chloro-4-nitropyridin-2-amine is C=CCCOCCNc1cc([N+](=O)[O-])cc(Cl)n1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-6-chloro-4-nitropyridin-2-amine?
The InChIKey is VZYPGLCHCRLXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-2-3-5-18-6-4-13-11-8-9(15(16)17)7-10(12)14-11/h2,7-8H,1,3-6H2,(H,13,14).
What are the key properties of N-(2-but-3-enoxyethyl)-6-chloro-4-nitropyridin-2-amine?
N-(2-but-3-enoxyethyl)-6-chloro-4-nitropyridin-2-amine has a molecular weight of 271.70 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-6-chloro-4-nitropyridin-2-amine is sourced from PubChem (CID 103889042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).