[6-(5-chloro-2-nitrophenoxy)-3-pyridinyl]methanamine

C12H10ClN3O3 — CID 80633680

IUPAC[6-(5-chloro-2-nitrophenoxy)-3-pyridinyl]methanamine
SMILESNCc1ccc(Oc2cc(Cl)ccc2[N+](=O)[O-])nc1
InChIInChI=1S/C12H10ClN3O3/c13-9-2-3-10(16(17)18)11(5-9)19-12-4-1-8(6-14)7-15-12/h1-5,7H,6,14H2
InChIKeyVGZKZQDDZXSWDB-UHFFFAOYSA-N
MW279.68 g/mol
LogP2.89
Rot. Bonds4

About [6-(5-chloro-2-nitrophenoxy)-3-pyridinyl]methanamine

[6-(5-chloro-2-nitrophenoxy)-3-pyridinyl]methanamine (PubChem CID 80633680) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is [6-(5-chloro-2-nitrophenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(5-chloro-2-nitrophenoxy)-3-pyridinyl]methanamine
PubChem CID80633680
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name[6-(5-chloro-2-nitrophenoxy)-3-pyridinyl]methanamine
SMILESNCc1ccc(Oc2cc(Cl)ccc2[N+](=O)[O-])nc1
InChIInChI=1S/C12H10ClN3O3/c13-9-2-3-10(16(17)18)11(5-9)19-12-4-1-8(6-14)7-15-12/h1-5,7H,6,14H2
InChIKeyVGZKZQDDZXSWDB-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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-(3-chloro-4-nitrophenoxy)-3-pyridinyl]methanamine
CID 80633382
5-(bromomethyl)-2-(4,5-dichloro-2-nitrophenoxy)pyridine
CID 107500369
[6-(2-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine
CID 103011231
6-(5-chloro-2-nitrophenoxy)pyrido[2,3-b]pyrazine
CID 133305556
1-[6-(5-fluoro-2-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 80633902
5-chloro-2-(2,5-difluoro-4-nitrophenoxy)pyridine
CID 66234348
2-chloro-6-(5-chloro-2-nitrophenoxy)pyridine
CID 63587633
4-chloro-2-(chloromethoxy)-1-nitrobenzene
CID 79529891
[6-(5-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80938296
9-(5-chloro-2-nitrophenoxy)nonane-1-thiol
CID 105344440
[3-chloro-4-(5-chloro-2-nitrophenoxy)phenyl]methanol
CID 81151308
[6-(3-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine
CID 103589022

Frequently Asked Questions

What is the IUPAC name of [6-(5-chloro-2-nitrophenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [6-(5-chloro-2-nitrophenoxy)-3-pyridinyl]methanamine (CID 80633680) is [6-(5-chloro-2-nitrophenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(5-chloro-2-nitrophenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [6-(5-chloro-2-nitrophenoxy)-3-pyridinyl]methanamine is NCc1ccc(Oc2cc(Cl)ccc2[N+](=O)[O-])nc1.
What is the InChIKey of [6-(5-chloro-2-nitrophenoxy)-3-pyridinyl]methanamine?
The InChIKey is VGZKZQDDZXSWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c13-9-2-3-10(16(17)18)11(5-9)19-12-4-1-8(6-14)7-15-12/h1-5,7H,6,14H2.
What are the key properties of [6-(5-chloro-2-nitrophenoxy)-3-pyridinyl]methanamine?
[6-(5-chloro-2-nitrophenoxy)-3-pyridinyl]methanamine has a molecular weight of 279.68 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-chloro-2-nitrophenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 80633680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).