5-chloro-2-[(1-oxidopyridin-1-ium-4-yl)oxymethyl]pyridine

C11H9ClN2O2 — CID 58269468

IUPAC5-chloro-2-[(1-oxidopyridin-1-ium-4-yl)oxymethyl]pyridine
SMILES[O-][n+]1ccc(OCc2ccc(Cl)cn2)cc1
InChIInChI=1S/C11H9ClN2O2/c12-9-1-2-10(13-7-9)8-16-11-3-5-14(15)6-4-11/h1-7H,8H2
InChIKeyFTYPQSBSRANZPG-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.95
Rot. Bonds3

About 5-chloro-2-[(1-oxidopyridin-1-ium-4-yl)oxymethyl]pyridine

5-chloro-2-[(1-oxidopyridin-1-ium-4-yl)oxymethyl]pyridine (PubChem CID 58269468) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 5-chloro-2-[(1-oxidopyridin-1-ium-4-yl)oxymethyl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[(1-oxidopyridin-1-ium-4-yl)oxymethyl]pyridine
PubChem CID58269468
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name5-chloro-2-[(1-oxidopyridin-1-ium-4-yl)oxymethyl]pyridine
SMILES[O-][n+]1ccc(OCc2ccc(Cl)cn2)cc1
InChIInChI=1S/C11H9ClN2O2/c12-9-1-2-10(13-7-9)8-16-11-3-5-14(15)6-4-11/h1-7H,8H2
InChIKeyFTYPQSBSRANZPG-UHFFFAOYSA-N
XLogP1.95
TPSA49.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[(4-chlorophenoxy)methyl]pyrazine
CID 103054702
4-[(5-chloro-2-pyridinyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 86795441
(5-chloro-2-pyridinyl)methyl acetate
CID 14517150
7-[(5-chloro-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 167432009
5-chloro-2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyridine
CID 170746947
2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyridine
CID 79800294
N-(4-chlorophenyl)-6-(phenoxymethyl)pyridine-3-carboxamide
CID 58533794
5-methyl-2-(phenoxymethyl)pyridine
CID 123739450
1-(5-chloro-2-pyridinyl)-N,N-dimethylmethanamine
CID 126971830
1-(5-chloro-2-pyridinyl)-N-methylmethanamine;hydrochloride
CID 162422867
4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]pyridin-2-one
CID 53476498
4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[(2S)-2-(diethylamino)propoxy]phenyl]pyridin-2-one
CID 11510514

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1-oxidopyridin-1-ium-4-yl)oxymethyl]pyridine?
The IUPAC name of 5-chloro-2-[(1-oxidopyridin-1-ium-4-yl)oxymethyl]pyridine (CID 58269468) is 5-chloro-2-[(1-oxidopyridin-1-ium-4-yl)oxymethyl]pyridine.
What is the SMILES notation for 5-chloro-2-[(1-oxidopyridin-1-ium-4-yl)oxymethyl]pyridine?
The canonical SMILES for 5-chloro-2-[(1-oxidopyridin-1-ium-4-yl)oxymethyl]pyridine is [O-][n+]1ccc(OCc2ccc(Cl)cn2)cc1.
What is the InChIKey of 5-chloro-2-[(1-oxidopyridin-1-ium-4-yl)oxymethyl]pyridine?
The InChIKey is FTYPQSBSRANZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-9-1-2-10(13-7-9)8-16-11-3-5-14(15)6-4-11/h1-7H,8H2.
What are the key properties of 5-chloro-2-[(1-oxidopyridin-1-ium-4-yl)oxymethyl]pyridine?
5-chloro-2-[(1-oxidopyridin-1-ium-4-yl)oxymethyl]pyridine has a molecular weight of 236.66 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(1-oxidopyridin-1-ium-4-yl)oxymethyl]pyridine is sourced from PubChem (CID 58269468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).