3-[(5-chloro-3-pyridinyl)oxy]-N-methyl-5-nitroaniline

C12H10ClN3O3 — CID 80877603

IUPAC3-[(5-chloro-3-pyridinyl)oxy]-N-methyl-5-nitroaniline
SMILESCNc1cc(Oc2cncc(Cl)c2)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H10ClN3O3/c1-14-9-3-10(16(17)18)5-11(4-9)19-12-2-8(13)6-15-7-12/h2-7,14H,1H3
InChIKeyWKGBIDNOWDXZTF-UHFFFAOYSA-N
MW279.68 g/mol
LogP3.48
Rot. Bonds4

About 3-[(5-chloro-3-pyridinyl)oxy]-N-methyl-5-nitroaniline

3-[(5-chloro-3-pyridinyl)oxy]-N-methyl-5-nitroaniline (PubChem CID 80877603) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is 3-[(5-chloro-3-pyridinyl)oxy]-N-methyl-5-nitroaniline.

Molecular Properties

Compound Name3-[(5-chloro-3-pyridinyl)oxy]-N-methyl-5-nitroaniline
PubChem CID80877603
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name3-[(5-chloro-3-pyridinyl)oxy]-N-methyl-5-nitroaniline
SMILESCNc1cc(Oc2cncc(Cl)c2)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H10ClN3O3/c1-14-9-3-10(16(17)18)5-11(4-9)19-12-2-8(13)6-15-7-12/h2-7,14H,1H3
InChIKeyWKGBIDNOWDXZTF-UHFFFAOYSA-N
XLogP3.48
TPSA77.29 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 ≤ 53.48
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

3-(2,4-dichlorophenoxy)-N-methyl-5-nitroaniline
CID 80869013
N-methyl-3-nitro-5-(4-propan-2-ylphenoxy)aniline
CID 80867666
5-(2,6-dibromo-4-nitrophenoxy)-N-methylpyridin-3-amine
CID 104536753
3-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-nitroaniline
CID 80877347
1-N,3-N-dimethyl-5-nitrobenzene-1,3-diamine
CID 80770276
N-methyl-3-nitro-5-(2-propan-2-ylphenoxy)aniline
CID 80874041
3-chloro-5-(2-methoxy-4-nitrophenoxy)pyridine;ethane
CID 143108320
N-methyl-3-nitro-5-(3-propan-2-ylphenoxy)aniline
CID 80865691
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102
[3-[3-(methylamino)-5-nitrophenoxy]phenyl]methanol
CID 80872239
2-[(5-chloro-3-pyridinyl)oxy]-5-nitrobenzonitrile
CID 22148825
3-(2,4-dibromophenoxy)-N-methyl-5-nitroaniline
CID 80877999

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-3-pyridinyl)oxy]-N-methyl-5-nitroaniline?
The IUPAC name of 3-[(5-chloro-3-pyridinyl)oxy]-N-methyl-5-nitroaniline (CID 80877603) is 3-[(5-chloro-3-pyridinyl)oxy]-N-methyl-5-nitroaniline.
What is the SMILES notation for 3-[(5-chloro-3-pyridinyl)oxy]-N-methyl-5-nitroaniline?
The canonical SMILES for 3-[(5-chloro-3-pyridinyl)oxy]-N-methyl-5-nitroaniline is CNc1cc(Oc2cncc(Cl)c2)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-[(5-chloro-3-pyridinyl)oxy]-N-methyl-5-nitroaniline?
The InChIKey is WKGBIDNOWDXZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c1-14-9-3-10(16(17)18)5-11(4-9)19-12-2-8(13)6-15-7-12/h2-7,14H,1H3.
What are the key properties of 3-[(5-chloro-3-pyridinyl)oxy]-N-methyl-5-nitroaniline?
3-[(5-chloro-3-pyridinyl)oxy]-N-methyl-5-nitroaniline has a molecular weight of 279.68 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-3-pyridinyl)oxy]-N-methyl-5-nitroaniline is sourced from PubChem (CID 80877603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).