3-chloro-2-(oxan-2-yloxymethyl)pyridine

C11H14ClNO2 — CID 168944061

IUPAC3-chloro-2-(oxan-2-yloxymethyl)pyridine
SMILESClc1cccnc1COC1CCCCO1
InChIInChI=1S/C11H14ClNO2/c12-9-4-3-6-13-10(9)8-15-11-5-1-2-7-14-11/h3-4,6,11H,1-2,5,7-8H2
InChIKeyMHDBLLBHHFKXAV-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.78
Rot. Bonds3

About 3-chloro-2-(oxan-2-yloxymethyl)pyridine

3-chloro-2-(oxan-2-yloxymethyl)pyridine (PubChem CID 168944061) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-chloro-2-(oxan-2-yloxymethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(oxan-2-yloxymethyl)pyridine
PubChem CID168944061
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name3-chloro-2-(oxan-2-yloxymethyl)pyridine
SMILESClc1cccnc1COC1CCCCO1
InChIInChI=1S/C11H14ClNO2/c12-9-4-3-6-13-10(9)8-15-11-5-1-2-7-14-11/h3-4,6,11H,1-2,5,7-8H2
InChIKeyMHDBLLBHHFKXAV-UHFFFAOYSA-N
XLogP2.78
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
2-chloro-4-(oxan-2-yloxymethyl)pyridine
CID 86090104
tert-butyl 3-[[(2R)-oxan-2-yl]oxymethyl]pyrazolo[3,4-b]pyridine-1-carboxylate
CID 94840528
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
2,9-bis[2-(oxan-2-yloxy)ethyl]-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 101178662
4-[3-[[(2S)-oxan-2-yl]oxymethyl]-2-pyridinyl]piperidine-1-carboxylic acid
CID 57256417
2-[(4-chlorophenyl)methoxy]oxolane
CID 102105550
1-[5-(2-chlorophenyl)-3-(oxan-2-yloxymethyl)-1,2-oxazol-4-yl]but-2-yn-1-one
CID 69124049
2-bromo-5-(oxan-2-yloxymethyl)pyridine
CID 18469682
4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(oxan-2-yloxymethyl)benzaldehyde
CID 166004335
(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(oxan-2-yloxymethyl)pyridine?
The IUPAC name of 3-chloro-2-(oxan-2-yloxymethyl)pyridine (CID 168944061) is 3-chloro-2-(oxan-2-yloxymethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(oxan-2-yloxymethyl)pyridine?
The canonical SMILES for 3-chloro-2-(oxan-2-yloxymethyl)pyridine is Clc1cccnc1COC1CCCCO1.
What is the InChIKey of 3-chloro-2-(oxan-2-yloxymethyl)pyridine?
The InChIKey is MHDBLLBHHFKXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-9-4-3-6-13-10(9)8-15-11-5-1-2-7-14-11/h3-4,6,11H,1-2,5,7-8H2.
What are the key properties of 3-chloro-2-(oxan-2-yloxymethyl)pyridine?
3-chloro-2-(oxan-2-yloxymethyl)pyridine has a molecular weight of 227.69 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(oxan-2-yloxymethyl)pyridine is sourced from PubChem (CID 168944061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).