1-[5-(2-chloro-5-nitrophenoxy)-2-pyridinyl]-N-methylethanamine

C14H14ClN3O3 — CID 83111430

IUPAC1-[5-(2-chloro-5-nitrophenoxy)-2-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2cc([N+](=O)[O-])ccc2Cl)cn1
InChIInChI=1S/C14H14ClN3O3/c1-9(16-2)13-6-4-11(8-17-13)21-14-7-10(18(19)20)3-5-12(14)15/h3-9,16H,1-2H3
InChIKeyJYPNJHLMHJKDEW-UHFFFAOYSA-N
MW307.74 g/mol
LogP3.72
Rot. Bonds5

About 1-[5-(2-chloro-5-nitrophenoxy)-2-pyridinyl]-N-methylethanamine

1-[5-(2-chloro-5-nitrophenoxy)-2-pyridinyl]-N-methylethanamine (PubChem CID 83111430) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 1-[5-(2-chloro-5-nitrophenoxy)-2-pyridinyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(2-chloro-5-nitrophenoxy)-2-pyridinyl]-N-methylethanamine
PubChem CID83111430
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name1-[5-(2-chloro-5-nitrophenoxy)-2-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2cc([N+](=O)[O-])ccc2Cl)cn1
InChIInChI=1S/C14H14ClN3O3/c1-9(16-2)13-6-4-11(8-17-13)21-14-7-10(18(19)20)3-5-12(14)15/h3-9,16H,1-2H3
InChIKeyJYPNJHLMHJKDEW-UHFFFAOYSA-N
XLogP3.72
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 53.72
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

N-methyl-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83110470
1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125212
N-methyl-1-[5-(3-methyl-2-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83110471
(1R)-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83124262
(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83109459
(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83109960
(1R)-1-[5-(4,5-dichloro-2-nitrophenoxy)-2-pyridinyl]ethanamine
CID 107500145
1-[4-(2-chloro-5-nitrophenoxy)phenyl]ethanone
CID 63991778
4-(2-chloro-5-nitrophenoxy)-5-iodopyrimidine
CID 66317806
2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine
CID 155663614
1-[6-(2-chloro-5-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 80633241
N-[1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]ethyl]propan-1-amine
CID 83111420

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chloro-5-nitrophenoxy)-2-pyridinyl]-N-methylethanamine?
The IUPAC name of 1-[5-(2-chloro-5-nitrophenoxy)-2-pyridinyl]-N-methylethanamine (CID 83111430) is 1-[5-(2-chloro-5-nitrophenoxy)-2-pyridinyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(2-chloro-5-nitrophenoxy)-2-pyridinyl]-N-methylethanamine?
The canonical SMILES for 1-[5-(2-chloro-5-nitrophenoxy)-2-pyridinyl]-N-methylethanamine is CNC(C)c1ccc(Oc2cc([N+](=O)[O-])ccc2Cl)cn1.
What is the InChIKey of 1-[5-(2-chloro-5-nitrophenoxy)-2-pyridinyl]-N-methylethanamine?
The InChIKey is JYPNJHLMHJKDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-9(16-2)13-6-4-11(8-17-13)21-14-7-10(18(19)20)3-5-12(14)15/h3-9,16H,1-2H3.
What are the key properties of 1-[5-(2-chloro-5-nitrophenoxy)-2-pyridinyl]-N-methylethanamine?
1-[5-(2-chloro-5-nitrophenoxy)-2-pyridinyl]-N-methylethanamine has a molecular weight of 307.74 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chloro-5-nitrophenoxy)-2-pyridinyl]-N-methylethanamine is sourced from PubChem (CID 83111430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).