3-chloro-N-(3-methoxy-2-methylpropyl)-5-nitropyridin-2-amine

C10H14ClN3O3 — CID 113238783

IUPAC3-chloro-N-(3-methoxy-2-methylpropyl)-5-nitropyridin-2-amine
SMILESCOCC(C)CNc1ncc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H14ClN3O3/c1-7(6-17-2)4-12-10-9(11)3-8(5-13-10)14(15)16/h3,5,7H,4,6H2,1-2H3,(H,12,13)
InChIKeyWUPUMULWAZJNQE-UHFFFAOYSA-N
MW259.69 g/mol
LogP2.34
Rot. Bonds6

About 3-chloro-N-(3-methoxy-2-methylpropyl)-5-nitropyridin-2-amine

3-chloro-N-(3-methoxy-2-methylpropyl)-5-nitropyridin-2-amine (PubChem CID 113238783) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 3-chloro-N-(3-methoxy-2-methylpropyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(3-methoxy-2-methylpropyl)-5-nitropyridin-2-amine
PubChem CID113238783
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name3-chloro-N-(3-methoxy-2-methylpropyl)-5-nitropyridin-2-amine
SMILESCOCC(C)CNc1ncc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H14ClN3O3/c1-7(6-17-2)4-12-10-9(11)3-8(5-13-10)14(15)16/h3,5,7H,4,6H2,1-2H3,(H,12,13)
InChIKeyWUPUMULWAZJNQE-UHFFFAOYSA-N
XLogP2.34
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 113244218
1-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-ethylpentan-2-ol
CID 103679852
1-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dimethylpentan-2-ol
CID 133309984
2-[(3-chloro-5-nitro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)ethanol
CID 133323518
N-(3-methoxy-2-methylpropyl)-2-methyl-5-nitroaniline
CID 62588847
3-chloro-5-nitro-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 103679882
3-chloro-N-(3-methylsulfanylpropyl)-5-nitropyridin-2-amine
CID 103679906
3-chloro-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine
CID 113238811
2-chloro-N-(3-methoxy-2-methylpropyl)-4-nitrobenzamide
CID 47080227
3-chloro-N-(2-methylpentan-2-yl)-5-nitropyridin-2-amine
CID 113238793
4-N-(3-methoxy-2-methylpropyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 80816301
3-chloro-N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-5-nitropyridin-2-amine
CID 133380325

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-methoxy-2-methylpropyl)-5-nitropyridin-2-amine?
The IUPAC name of 3-chloro-N-(3-methoxy-2-methylpropyl)-5-nitropyridin-2-amine (CID 113238783) is 3-chloro-N-(3-methoxy-2-methylpropyl)-5-nitropyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(3-methoxy-2-methylpropyl)-5-nitropyridin-2-amine?
The canonical SMILES for 3-chloro-N-(3-methoxy-2-methylpropyl)-5-nitropyridin-2-amine is COCC(C)CNc1ncc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 3-chloro-N-(3-methoxy-2-methylpropyl)-5-nitropyridin-2-amine?
The InChIKey is WUPUMULWAZJNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-7(6-17-2)4-12-10-9(11)3-8(5-13-10)14(15)16/h3,5,7H,4,6H2,1-2H3,(H,12,13).
What are the key properties of 3-chloro-N-(3-methoxy-2-methylpropyl)-5-nitropyridin-2-amine?
3-chloro-N-(3-methoxy-2-methylpropyl)-5-nitropyridin-2-amine has a molecular weight of 259.69 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-methoxy-2-methylpropyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 113238783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).