2-(pyridin-1-ium-4-yloxymethyl)pyridine

C11H11N2O+ — CID 59293395

IUPAC2-(pyridin-1-ium-4-yloxymethyl)pyridine
SMILESc1ccc(COc2cc[nH+]cc2)nc1
InChIInChI=1S/C11H10N2O/c1-2-6-13-10(3-1)9-14-11-4-7-12-8-5-11/h1-8H,9H2/p+1
InChIKeyBNJACSWKDGFSBG-UHFFFAOYSA-O
MW187.22 g/mol
LogP1.47
Rot. Bonds3

About 2-(pyridin-1-ium-4-yloxymethyl)pyridine

2-(pyridin-1-ium-4-yloxymethyl)pyridine (PubChem CID 59293395) has the molecular formula C11H11N2O+ and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-(pyridin-1-ium-4-yloxymethyl)pyridine.

Molecular Properties

Compound Name2-(pyridin-1-ium-4-yloxymethyl)pyridine
PubChem CID59293395
Molecular FormulaC11H11N2O+
Molecular Weight187.22 g/mol
Exact Mass187.09
IUPAC Name2-(pyridin-1-ium-4-yloxymethyl)pyridine
SMILESc1ccc(COc2cc[nH+]cc2)nc1
InChIInChI=1S/C11H10N2O/c1-2-6-13-10(3-1)9-14-11-4-7-12-8-5-11/h1-8H,9H2/p+1
InChIKeyBNJACSWKDGFSBG-UHFFFAOYSA-O
XLogP1.47
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
pyridin-2-ylmethyl hypoiodite
CID 67567753
N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 24698261
2-[(3,4-dichlorophenoxy)methyl]pyridine
CID 174779615
4-(pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24690240
(1R)-1-[4-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 30121102
2-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]pyridine
CID 50959322
methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate
CID 23549386
[4-[(2-methylpropan-2-yl)oxy]phenyl]-bis[4-(pyridin-2-ylmethoxy)phenyl]sulfanium
CID 22290221
3-[4-(pyridin-2-ylmethoxy)phenyl]propan-1-amine
CID 117095285
2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983
3-(pyridin-2-ylmethoxy)benzonitrile
CID 24695986

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-1-ium-4-yloxymethyl)pyridine?
The IUPAC name of 2-(pyridin-1-ium-4-yloxymethyl)pyridine (CID 59293395) is 2-(pyridin-1-ium-4-yloxymethyl)pyridine.
What is the SMILES notation for 2-(pyridin-1-ium-4-yloxymethyl)pyridine?
The canonical SMILES for 2-(pyridin-1-ium-4-yloxymethyl)pyridine is c1ccc(COc2cc[nH+]cc2)nc1.
What is the InChIKey of 2-(pyridin-1-ium-4-yloxymethyl)pyridine?
The InChIKey is BNJACSWKDGFSBG-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H10N2O/c1-2-6-13-10(3-1)9-14-11-4-7-12-8-5-11/h1-8H,9H2/p+1.
What are the key properties of 2-(pyridin-1-ium-4-yloxymethyl)pyridine?
2-(pyridin-1-ium-4-yloxymethyl)pyridine has a molecular weight of 187.22 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-1-ium-4-yloxymethyl)pyridine is sourced from PubChem (CID 59293395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).