3-[(2-chloro-6-nitrophenoxy)methyl]pyridin-2-amine

C12H10ClN3O3 — CID 107718707

IUPAC3-[(2-chloro-6-nitrophenoxy)methyl]pyridin-2-amine
SMILESNc1ncccc1COc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H10ClN3O3/c13-9-4-1-5-10(16(17)18)11(9)19-7-8-3-2-6-15-12(8)14/h1-6H,7H2,(H2,14,15)
InChIKeyUXUVQWDOTXMKEQ-UHFFFAOYSA-N
MW279.68 g/mol
LogP2.80
Rot. Bonds4

About 3-[(2-chloro-6-nitrophenoxy)methyl]pyridin-2-amine

3-[(2-chloro-6-nitrophenoxy)methyl]pyridin-2-amine (PubChem CID 107718707) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is 3-[(2-chloro-6-nitrophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(2-chloro-6-nitrophenoxy)methyl]pyridin-2-amine
PubChem CID107718707
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name3-[(2-chloro-6-nitrophenoxy)methyl]pyridin-2-amine
SMILESNc1ncccc1COc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H10ClN3O3/c13-9-4-1-5-10(16(17)18)11(9)19-7-8-3-2-6-15-12(8)14/h1-6H,7H2,(H2,14,15)
InChIKeyUXUVQWDOTXMKEQ-UHFFFAOYSA-N
XLogP2.80
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 52.80
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

1-chloro-2-(chloromethoxy)-3-nitrobenzene
CID 107715606
4-[(2-amino-3-pyridinyl)methoxy]-3-nitrobenzonitrile
CID 62468365
1-chloro-3-(chloromethyl)-2-[(2-chloro-6-nitrophenyl)methoxy]benzene
CID 115956582
1-[[2-(bromomethyl)-6-chlorophenoxy]methyl]-2-methyl-3-nitrobenzene
CID 115956758
3-(2-chloro-6-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136865799
3-bromo-5-[(2-chloro-6-nitrophenoxy)methyl]pyridine
CID 103764410
1-(2-chloro-6-nitrophenoxy)propan-2-one
CID 103764387
6-(2-chloro-6-nitrophenoxy)-5-ethylpyrimidin-4-amine
CID 107719391
1-chloro-3-(chloromethyl)-2-[(5-chloro-2-nitrophenyl)methoxy]benzene
CID 115956577
[3-chloro-2-[(3-fluoro-4-nitrophenyl)methoxy]phenyl]methanamine
CID 115951977
1,3,5-trichloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzene
CID 107348680
2-(2-chloro-6-nitrophenoxy)ethanimidamide
CID 107717032

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-nitrophenoxy)methyl]pyridin-2-amine?
The IUPAC name of 3-[(2-chloro-6-nitrophenoxy)methyl]pyridin-2-amine (CID 107718707) is 3-[(2-chloro-6-nitrophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(2-chloro-6-nitrophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(2-chloro-6-nitrophenoxy)methyl]pyridin-2-amine is Nc1ncccc1COc1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of 3-[(2-chloro-6-nitrophenoxy)methyl]pyridin-2-amine?
The InChIKey is UXUVQWDOTXMKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c13-9-4-1-5-10(16(17)18)11(9)19-7-8-3-2-6-15-12(8)14/h1-6H,7H2,(H2,14,15).
What are the key properties of 3-[(2-chloro-6-nitrophenoxy)methyl]pyridin-2-amine?
3-[(2-chloro-6-nitrophenoxy)methyl]pyridin-2-amine has a molecular weight of 279.68 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-nitrophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 107718707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).