3-chloro-N-(2-methoxyethyl)-5-nitro-6-propan-2-yloxypyridin-2-amine

C11H16ClN3O4 — CID 130268219

IUPAC3-chloro-N-(2-methoxyethyl)-5-nitro-6-propan-2-yloxypyridin-2-amine
SMILESCOCCNc1nc(OC(C)C)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H16ClN3O4/c1-7(2)19-11-9(15(16)17)6-8(12)10(14-11)13-4-5-18-3/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyJCXMKLZBRDIKAL-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.49
Rot. Bonds7

About 3-chloro-N-(2-methoxyethyl)-5-nitro-6-propan-2-yloxypyridin-2-amine

3-chloro-N-(2-methoxyethyl)-5-nitro-6-propan-2-yloxypyridin-2-amine (PubChem CID 130268219) has the molecular formula C11H16ClN3O4 and a molecular weight of 289.72 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxyethyl)-5-nitro-6-propan-2-yloxypyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(2-methoxyethyl)-5-nitro-6-propan-2-yloxypyridin-2-amine
PubChem CID130268219
Molecular FormulaC11H16ClN3O4
Molecular Weight289.72 g/mol
Exact Mass289.08
IUPAC Name3-chloro-N-(2-methoxyethyl)-5-nitro-6-propan-2-yloxypyridin-2-amine
SMILESCOCCNc1nc(OC(C)C)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H16ClN3O4/c1-7(2)19-11-9(15(16)17)6-8(12)10(14-11)13-4-5-18-3/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyJCXMKLZBRDIKAL-UHFFFAOYSA-N
XLogP2.49
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-N-(3-methoxypropyl)-3-nitropyridin-2-amine
CID 43153390
5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104576952
N-(2-methoxyethyl)-N'-(4-nitro-3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 83037133
formic acid;N-(2-methoxyethyl)-6-methyl-3-nitropyridin-2-amine
CID 175490837
2,6-dichloro-N-(2-methoxyethyl)-4-nitroaniline
CID 104916965
4-chloro-N-(2-methoxyethyl)-2-nitroaniline
CID 28542742
(5-nitro-6-propan-2-yloxy-2-pyridinyl)hydrazine
CID 80911273
6-chloro-3-nitro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 106013741
3-chloro-2-methoxy-6-(4-methylpentoxy)-5-nitropyridine
CID 58153392
5-chloro-2-methoxy-6-(4-methylpentoxy)-3-nitropyridine
CID 58153480
N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
CID 82454625
6-chloro-N-(2-ethoxyethyl)-3-nitropyridin-2-amine
CID 43591616

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxyethyl)-5-nitro-6-propan-2-yloxypyridin-2-amine?
The IUPAC name of 3-chloro-N-(2-methoxyethyl)-5-nitro-6-propan-2-yloxypyridin-2-amine (CID 130268219) is 3-chloro-N-(2-methoxyethyl)-5-nitro-6-propan-2-yloxypyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(2-methoxyethyl)-5-nitro-6-propan-2-yloxypyridin-2-amine?
The canonical SMILES for 3-chloro-N-(2-methoxyethyl)-5-nitro-6-propan-2-yloxypyridin-2-amine is COCCNc1nc(OC(C)C)c([N+](=O)[O-])cc1Cl.
What is the InChIKey of 3-chloro-N-(2-methoxyethyl)-5-nitro-6-propan-2-yloxypyridin-2-amine?
The InChIKey is JCXMKLZBRDIKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O4/c1-7(2)19-11-9(15(16)17)6-8(12)10(14-11)13-4-5-18-3/h6-7H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 3-chloro-N-(2-methoxyethyl)-5-nitro-6-propan-2-yloxypyridin-2-amine?
3-chloro-N-(2-methoxyethyl)-5-nitro-6-propan-2-yloxypyridin-2-amine has a molecular weight of 289.72 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxyethyl)-5-nitro-6-propan-2-yloxypyridin-2-amine is sourced from PubChem (CID 130268219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).