5-[3-(chloromethyl)oxolan-2-yl]-2-methoxypyridine

C11H14ClNO2 — CID 114939001

IUPAC5-[3-(chloromethyl)oxolan-2-yl]-2-methoxypyridine
SMILESCOc1ccc(C2OCCC2CCl)cn1
InChIInChI=1S/C11H14ClNO2/c1-14-10-3-2-9(7-13-10)11-8(6-12)4-5-15-11/h2-3,7-8,11H,4-6H2,1H3
InChIKeyBEZIGHFNDCGQIR-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.41
Rot. Bonds3

About 5-[3-(chloromethyl)oxolan-2-yl]-2-methoxypyridine

5-[3-(chloromethyl)oxolan-2-yl]-2-methoxypyridine (PubChem CID 114939001) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-[3-(chloromethyl)oxolan-2-yl]-2-methoxypyridine.

Molecular Properties

Compound Name5-[3-(chloromethyl)oxolan-2-yl]-2-methoxypyridine
PubChem CID114939001
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name5-[3-(chloromethyl)oxolan-2-yl]-2-methoxypyridine
SMILESCOc1ccc(C2OCCC2CCl)cn1
InChIInChI=1S/C11H14ClNO2/c1-14-10-3-2-9(7-13-10)11-8(6-12)4-5-15-11/h2-3,7-8,11H,4-6H2,1H3
InChIKeyBEZIGHFNDCGQIR-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(6-methoxy-3-pyridinyl)oxan-3-yl]methyl]cyclopropanamine
CID 114938990
3-(chloromethyl)-2-(6-methoxynaphthalen-2-yl)oxolane
CID 79373694
3-(chloromethyl)-2-(3-chloro-4-methylphenyl)oxolane
CID 106819310
(2R,3S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-(6-methoxy-3-pyridinyl)oxolan-3-amine
CID 167794228
5-cyclopentyl-2-methoxypyridine
CID 102520175
3-ethyl-N-[(2R,3S)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]pyridine-4-carboxamide
CID 120965701
5-(2-ethylcyclopropyl)-2-methoxypyridine
CID 59988749
3-(chloromethyl)-2-(3-cyclopropylphenyl)oxolane
CID 79976732
4-[[[(2R,3S)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 120916528
2-[[(2S,3R)-2-(6-methoxy-3-pyridinyl)oxolan-3-yl]amino]-6,7-dihydrocyclopenta[b]pyridin-5-one
CID 167837041
3-(chloromethyl)-2-(2,4,6-trimethoxyphenyl)oxolane
CID 79373868
4-(6-methoxy-3-pyridinyl)azetidin-2-one
CID 114938690

Frequently Asked Questions

What is the IUPAC name of 5-[3-(chloromethyl)oxolan-2-yl]-2-methoxypyridine?
The IUPAC name of 5-[3-(chloromethyl)oxolan-2-yl]-2-methoxypyridine (CID 114939001) is 5-[3-(chloromethyl)oxolan-2-yl]-2-methoxypyridine.
What is the SMILES notation for 5-[3-(chloromethyl)oxolan-2-yl]-2-methoxypyridine?
The canonical SMILES for 5-[3-(chloromethyl)oxolan-2-yl]-2-methoxypyridine is COc1ccc(C2OCCC2CCl)cn1.
What is the InChIKey of 5-[3-(chloromethyl)oxolan-2-yl]-2-methoxypyridine?
The InChIKey is BEZIGHFNDCGQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-14-10-3-2-9(7-13-10)11-8(6-12)4-5-15-11/h2-3,7-8,11H,4-6H2,1H3.
What are the key properties of 5-[3-(chloromethyl)oxolan-2-yl]-2-methoxypyridine?
5-[3-(chloromethyl)oxolan-2-yl]-2-methoxypyridine has a molecular weight of 227.69 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(chloromethyl)oxolan-2-yl]-2-methoxypyridine is sourced from PubChem (CID 114939001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).