5-chloro-3-[(3-fluoro-2-pyridinyl)methoxymethyl]-2-nitropyridine

C12H9ClFN3O3 — CID 123606791

IUPAC5-chloro-3-[(3-fluoro-2-pyridinyl)methoxymethyl]-2-nitropyridine
SMILESO=[N+]([O-])c1ncc(Cl)cc1COCc1ncccc1F
InChIInChI=1S/C12H9ClFN3O3/c13-9-4-8(12(16-5-9)17(18)19)6-20-7-11-10(14)2-1-3-15-11/h1-5H,6-7H2
InChIKeyGBKBJMPJFJBHID-UHFFFAOYSA-N
MW297.67 g/mol
LogP2.89
Rot. Bonds5

About 5-chloro-3-[(3-fluoro-2-pyridinyl)methoxymethyl]-2-nitropyridine

5-chloro-3-[(3-fluoro-2-pyridinyl)methoxymethyl]-2-nitropyridine (PubChem CID 123606791) has the molecular formula C12H9ClFN3O3 and a molecular weight of 297.67 g/mol. Its IUPAC name is 5-chloro-3-[(3-fluoro-2-pyridinyl)methoxymethyl]-2-nitropyridine.

Molecular Properties

Compound Name5-chloro-3-[(3-fluoro-2-pyridinyl)methoxymethyl]-2-nitropyridine
PubChem CID123606791
Molecular FormulaC12H9ClFN3O3
Molecular Weight297.67 g/mol
Exact Mass297.03
IUPAC Name5-chloro-3-[(3-fluoro-2-pyridinyl)methoxymethyl]-2-nitropyridine
SMILESO=[N+]([O-])c1ncc(Cl)cc1COCc1ncccc1F
InChIInChI=1S/C12H9ClFN3O3/c13-9-4-8(12(16-5-9)17(18)19)6-20-7-11-10(14)2-1-3-15-11/h1-5H,6-7H2
InChIKeyGBKBJMPJFJBHID-UHFFFAOYSA-N
XLogP2.89
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.67
LogP ≤ 52.89
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-Chloro-3-[(3-fluoropyridin-2-yl)methoxy]-2-nitropyridine
CID 86718217
4-(3-Chloro-5-nitro-2-pyridinyl)-2-(4-fluorophenyl)-6-methylmorpholine
CID 133330434
5-Chloro-2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-(trifluoromethyl)pyridine
CID 167924220
3-[(6-Chloro-3-pyridinyl)methoxy]-2-nitropyridine
CID 28882414
3-[(6-Chloro-3-pyridinyl)methoxy]-6-methyl-2-nitropyridine
CID 31056581
3-[(2-Chloro-3-pyridinyl)methoxy]-6-methyl-2-nitropyridine
CID 55075233
3-[(4,6-Dichloro-3-pyridinyl)methoxy]-6-methyl-2-nitropyridine
CID 116519464

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(3-fluoro-2-pyridinyl)methoxymethyl]-2-nitropyridine?
The IUPAC name of 5-chloro-3-[(3-fluoro-2-pyridinyl)methoxymethyl]-2-nitropyridine (CID 123606791) is 5-chloro-3-[(3-fluoro-2-pyridinyl)methoxymethyl]-2-nitropyridine.
What is the SMILES notation for 5-chloro-3-[(3-fluoro-2-pyridinyl)methoxymethyl]-2-nitropyridine?
The canonical SMILES for 5-chloro-3-[(3-fluoro-2-pyridinyl)methoxymethyl]-2-nitropyridine is O=[N+]([O-])c1ncc(Cl)cc1COCc1ncccc1F.
What is the InChIKey of 5-chloro-3-[(3-fluoro-2-pyridinyl)methoxymethyl]-2-nitropyridine?
The InChIKey is GBKBJMPJFJBHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O3/c13-9-4-8(12(16-5-9)17(18)19)6-20-7-11-10(14)2-1-3-15-11/h1-5H,6-7H2.
What are the key properties of 5-chloro-3-[(3-fluoro-2-pyridinyl)methoxymethyl]-2-nitropyridine?
5-chloro-3-[(3-fluoro-2-pyridinyl)methoxymethyl]-2-nitropyridine has a molecular weight of 297.67 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(3-fluoro-2-pyridinyl)methoxymethyl]-2-nitropyridine is sourced from PubChem (CID 123606791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).