5-chloro-6-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine

C12H9Cl2N3O3 — CID 62886176

IUPAC5-chloro-6-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(COc2cc(Cl)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H9Cl2N3O3/c13-7-1-3-10(17(18)19)11(5-7)20-6-9-8(14)2-4-12(15)16-9/h1-5H,6H2,(H2,15,16)
InChIKeyDSPLZTYDWGZTIU-UHFFFAOYSA-N
MW314.13 g/mol
LogP3.46
Rot. Bonds4

About 5-chloro-6-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine

5-chloro-6-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine (PubChem CID 62886176) has the molecular formula C12H9Cl2N3O3 and a molecular weight of 314.13 g/mol. Its IUPAC name is 5-chloro-6-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine
PubChem CID62886176
Molecular FormulaC12H9Cl2N3O3
Molecular Weight314.13 g/mol
Exact Mass313.00
IUPAC Name5-chloro-6-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(COc2cc(Cl)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H9Cl2N3O3/c13-7-1-3-10(17(18)19)11(5-7)20-6-9-8(14)2-4-12(15)16-9/h1-5H,6H2,(H2,15,16)
InChIKeyDSPLZTYDWGZTIU-UHFFFAOYSA-N
XLogP3.46
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 53.46
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

5-chloro-6-[(2,4-dichlorophenoxy)methyl]pyridin-2-amine
CID 62887044
4-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine
CID 62466940
4-chloro-2-(chloromethoxy)-1-nitrobenzene
CID 79529891
2-[(5-chloro-2-nitrophenoxy)methyl]pyridin-4-amine
CID 79259598
3-[(5-chloro-2-nitrophenoxy)methyl]pyridine
CID 78976903
4-chloro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 78976835
5-[(5-chloro-2-nitrophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole
CID 78976887
3-[(5-chloro-2-nitrophenoxy)methyl]-5-propyl-1,2,4-oxadiazole
CID 78953146
3-[(5-chloro-2-nitrophenoxy)methyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 48838162
5-[(5-chloro-2-nitrophenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 48838453
6-(5-chloro-2-nitrophenoxy)-2-ethyl-5-methylpyrimidin-4-amine
CID 80991124
2-[(4-chloro-2-nitrophenoxy)methyl]pyridin-4-amine
CID 79251756

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine (CID 62886176) is 5-chloro-6-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine is Nc1ccc(Cl)c(COc2cc(Cl)ccc2[N+](=O)[O-])n1.
What is the InChIKey of 5-chloro-6-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine?
The InChIKey is DSPLZTYDWGZTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O3/c13-7-1-3-10(17(18)19)11(5-7)20-6-9-8(14)2-4-12(15)16-9/h1-5H,6H2,(H2,15,16).
What are the key properties of 5-chloro-6-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine?
5-chloro-6-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine has a molecular weight of 314.13 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 62886176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).