6-[(2-chloro-4-nitrophenoxy)methyl]-N-ethylpyridin-2-amine

C14H14ClN3O3 — CID 79233930

IUPAC6-[(2-chloro-4-nitrophenoxy)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cccc(COc2ccc([N+](=O)[O-])cc2Cl)n1
InChIInChI=1S/C14H14ClN3O3/c1-2-16-14-5-3-4-10(17-14)9-21-13-7-6-11(18(19)20)8-12(13)15/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyKPDYLHCIBYXSRB-UHFFFAOYSA-N
MW307.74 g/mol
LogP3.65
Rot. Bonds6

About 6-[(2-chloro-4-nitrophenoxy)methyl]-N-ethylpyridin-2-amine

6-[(2-chloro-4-nitrophenoxy)methyl]-N-ethylpyridin-2-amine (PubChem CID 79233930) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 6-[(2-chloro-4-nitrophenoxy)methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-[(2-chloro-4-nitrophenoxy)methyl]-N-ethylpyridin-2-amine
PubChem CID79233930
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name6-[(2-chloro-4-nitrophenoxy)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cccc(COc2ccc([N+](=O)[O-])cc2Cl)n1
InChIInChI=1S/C14H14ClN3O3/c1-2-16-14-5-3-4-10(17-14)9-21-13-7-6-11(18(19)20)8-12(13)15/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyKPDYLHCIBYXSRB-UHFFFAOYSA-N
XLogP3.65
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 53.65
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

6-[(4-chloro-2-nitrophenoxy)methyl]-N-ethylpyridin-2-amine
CID 79231263
6-[(2-methoxy-5-nitrophenoxy)methyl]-N-methylpyridin-2-amine
CID 79234208
6-[(3,4-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 79239120
6-(2-chloro-4-nitrophenoxy)-N-ethyl-2-methylpyrimidin-4-amine
CID 80878741
2-chloro-6-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine
CID 79242700
3-(2-chloro-4-nitrophenoxy)-N-ethylpropan-1-amine
CID 29015240
3-[(2-chloro-4-nitrophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 47364532
5-[(2-chloro-4-nitrophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79761294
2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297
2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene
CID 66921922
[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]hydrazine
CID 79233690
5-[(2-chloro-4-nitrophenoxy)methyl]-1-(2,6-dimethylphenyl)tetrazole
CID 60558715

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-4-nitrophenoxy)methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 6-[(2-chloro-4-nitrophenoxy)methyl]-N-ethylpyridin-2-amine (CID 79233930) is 6-[(2-chloro-4-nitrophenoxy)methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-[(2-chloro-4-nitrophenoxy)methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 6-[(2-chloro-4-nitrophenoxy)methyl]-N-ethylpyridin-2-amine is CCNc1cccc(COc2ccc([N+](=O)[O-])cc2Cl)n1.
What is the InChIKey of 6-[(2-chloro-4-nitrophenoxy)methyl]-N-ethylpyridin-2-amine?
The InChIKey is KPDYLHCIBYXSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-2-16-14-5-3-4-10(17-14)9-21-13-7-6-11(18(19)20)8-12(13)15/h3-8H,2,9H2,1H3,(H,16,17).
What are the key properties of 6-[(2-chloro-4-nitrophenoxy)methyl]-N-ethylpyridin-2-amine?
6-[(2-chloro-4-nitrophenoxy)methyl]-N-ethylpyridin-2-amine has a molecular weight of 307.74 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-4-nitrophenoxy)methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 79233930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).