3-(phenoxymethyl)pyridine;hydrochloride

C12H12ClNO — CID 157085776

IUPAC3-(phenoxymethyl)pyridine;hydrochloride
SMILESCl.c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C12H11NO.ClH/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11;/h1-9H,10H2;1H
InChIKeyAEBLXZDEZSMKJX-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.08
Rot. Bonds3

About 3-(phenoxymethyl)pyridine;hydrochloride

3-(phenoxymethyl)pyridine;hydrochloride (PubChem CID 157085776) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 3-(phenoxymethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name3-(phenoxymethyl)pyridine;hydrochloride
PubChem CID157085776
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name3-(phenoxymethyl)pyridine;hydrochloride
SMILESCl.c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C12H11NO.ClH/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11;/h1-9H,10H2;1H
InChIKeyAEBLXZDEZSMKJX-UHFFFAOYSA-N
XLogP3.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
2-[4-(pyridin-3-ylmethoxy)phenoxy]pyrazine
CID 167789022
4-(pyridin-3-ylmethoxy)benzoate
CID 40981209
1-[4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 43503736
2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 47294468
4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride
CID 47002329
3-[(2-benzylphenoxy)methyl]pyridine
CID 112814185
3-[(4-isocyanatophenoxy)methyl]pyridine
CID 169353619
2-(pyridin-3-ylmethoxy)pyrazine
CID 90915376
4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid
CID 70036759
[3-(pyridin-3-ylmethoxy)phenyl] benzoate
CID 11460927

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)pyridine;hydrochloride?
The IUPAC name of 3-(phenoxymethyl)pyridine;hydrochloride (CID 157085776) is 3-(phenoxymethyl)pyridine;hydrochloride.
What is the SMILES notation for 3-(phenoxymethyl)pyridine;hydrochloride?
The canonical SMILES for 3-(phenoxymethyl)pyridine;hydrochloride is Cl.c1ccc(OCc2cccnc2)cc1.
What is the InChIKey of 3-(phenoxymethyl)pyridine;hydrochloride?
The InChIKey is AEBLXZDEZSMKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO.ClH/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11;/h1-9H,10H2;1H.
What are the key properties of 3-(phenoxymethyl)pyridine;hydrochloride?
3-(phenoxymethyl)pyridine;hydrochloride has a molecular weight of 221.69 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)pyridine;hydrochloride is sourced from PubChem (CID 157085776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).