5-[4-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-nitropyridine

C17H11Cl2N3O3 — CID 151637109

IUPAC5-[4-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-nitropyridine
SMILESO=[N+]([O-])c1ccc(-c2cc(OCc3ccc(Cl)cc3Cl)ccn2)cn1
InChIInChI=1S/C17H11Cl2N3O3/c18-13-3-1-12(15(19)7-13)10-25-14-5-6-20-16(8-14)11-2-4-17(21-9-11)22(23)24/h1-9H,10H2
InChIKeyQRSUTZKEKWQVBP-UHFFFAOYSA-N
MW376.20 g/mol
LogP4.94
Rot. Bonds5

About 5-[4-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-nitropyridine

5-[4-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-nitropyridine (PubChem CID 151637109) has the molecular formula C17H11Cl2N3O3 and a molecular weight of 376.20 g/mol. Its IUPAC name is 5-[4-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-nitropyridine.

Molecular Properties

Compound Name5-[4-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-nitropyridine
PubChem CID151637109
Molecular FormulaC17H11Cl2N3O3
Molecular Weight376.20 g/mol
Exact Mass375.02
IUPAC Name5-[4-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-nitropyridine
SMILESO=[N+]([O-])c1ccc(-c2cc(OCc3ccc(Cl)cc3Cl)ccn2)cn1
InChIInChI=1S/C17H11Cl2N3O3/c18-13-3-1-12(15(19)7-13)10-25-14-5-6-20-16(8-14)11-2-4-17(21-9-11)22(23)24/h1-9H,10H2
InChIKeyQRSUTZKEKWQVBP-UHFFFAOYSA-N
XLogP4.94
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 54.94
H-Bond Donors ≤ 50
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-[(4-chloro-2-nitrophenyl)methoxy]pyridine-2-carbaldehyde
CID 79794595
5-[(2-chloro-4-nitrophenyl)methoxy]-2-fluoropyridine
CID 113296504
2,4-bis[(2,4-dichlorophenyl)methoxy]benzaldehyde
CID 4767083
[5-[(2-chloro-4-nitrophenyl)methoxy]-2-pyridinyl]methanol
CID 79799534
2-(chloromethyl)-1-[(2,4-dichlorophenyl)methoxy]-4-nitrobenzene
CID 43473004
4-[(1E,6E)-7-[5-[(2,4-dichlorophenyl)methoxy]-2-nitrophenyl]hepta-1,6-dienyl]phenol
CID 141206140
2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile
CID 102724001
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
7-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1477544
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-nitropyridin-2-amine
CID 126103139
4-chloro-2-nitropyridine
CID 2762847
N-[2-(2,4-dichlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 28514790

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-nitropyridine?
The IUPAC name of 5-[4-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-nitropyridine (CID 151637109) is 5-[4-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-nitropyridine.
What is the SMILES notation for 5-[4-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-nitropyridine?
The canonical SMILES for 5-[4-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-nitropyridine is O=[N+]([O-])c1ccc(-c2cc(OCc3ccc(Cl)cc3Cl)ccn2)cn1.
What is the InChIKey of 5-[4-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-nitropyridine?
The InChIKey is QRSUTZKEKWQVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O3/c18-13-3-1-12(15(19)7-13)10-25-14-5-6-20-16(8-14)11-2-4-17(21-9-11)22(23)24/h1-9H,10H2.
What are the key properties of 5-[4-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-nitropyridine?
5-[4-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-nitropyridine has a molecular weight of 376.20 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-nitropyridine is sourced from PubChem (CID 151637109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).