2-chloro-3-[(3-ethylimidazol-4-yl)methoxy]pyridine

C11H12ClN3O — CID 66153757

IUPAC2-chloro-3-[(3-ethylimidazol-4-yl)methoxy]pyridine
SMILESCCn1cncc1COc1cccnc1Cl
InChIInChI=1S/C11H12ClN3O/c1-2-15-8-13-6-9(15)7-16-10-4-3-5-14-11(10)12/h3-6,8H,2,7H2,1H3
InChIKeyLGMAUSABKDZTSL-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.53
Rot. Bonds4

About 2-chloro-3-[(3-ethylimidazol-4-yl)methoxy]pyridine

2-chloro-3-[(3-ethylimidazol-4-yl)methoxy]pyridine (PubChem CID 66153757) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-chloro-3-[(3-ethylimidazol-4-yl)methoxy]pyridine.

Molecular Properties

Compound Name2-chloro-3-[(3-ethylimidazol-4-yl)methoxy]pyridine
PubChem CID66153757
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-chloro-3-[(3-ethylimidazol-4-yl)methoxy]pyridine
SMILESCCn1cncc1COc1cccnc1Cl
InChIInChI=1S/C11H12ClN3O/c1-2-15-8-13-6-9(15)7-16-10-4-3-5-14-11(10)12/h3-6,8H,2,7H2,1H3
InChIKeyLGMAUSABKDZTSL-UHFFFAOYSA-N
XLogP2.53
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-[(3-ethylimidazol-4-yl)methoxy]benzonitrile
CID 66154713
3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]benzaldehyde
CID 66154715
[2-[(3-ethylimidazol-4-yl)methoxy]-5-fluorophenyl]methanamine
CID 107695029
2-chloro-3-(methoxymethoxy)pyridine
CID 57430080
N-ethyl-4-[(3-ethylimidazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 66154709
[3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]methanol
CID 66152427
2-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]pyridine
CID 64983187
1-[2-chloro-6-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 114318711
2-[(3-ethylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde
CID 66154912
4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxybenzoic acid
CID 66155090
3-ethoxy-4-[(3-ethylimidazol-4-yl)methoxy]benzoic acid
CID 66152798
1-[4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 66152416

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(3-ethylimidazol-4-yl)methoxy]pyridine?
The IUPAC name of 2-chloro-3-[(3-ethylimidazol-4-yl)methoxy]pyridine (CID 66153757) is 2-chloro-3-[(3-ethylimidazol-4-yl)methoxy]pyridine.
What is the SMILES notation for 2-chloro-3-[(3-ethylimidazol-4-yl)methoxy]pyridine?
The canonical SMILES for 2-chloro-3-[(3-ethylimidazol-4-yl)methoxy]pyridine is CCn1cncc1COc1cccnc1Cl.
What is the InChIKey of 2-chloro-3-[(3-ethylimidazol-4-yl)methoxy]pyridine?
The InChIKey is LGMAUSABKDZTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-2-15-8-13-6-9(15)7-16-10-4-3-5-14-11(10)12/h3-6,8H,2,7H2,1H3.
What are the key properties of 2-chloro-3-[(3-ethylimidazol-4-yl)methoxy]pyridine?
2-chloro-3-[(3-ethylimidazol-4-yl)methoxy]pyridine has a molecular weight of 237.69 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(3-ethylimidazol-4-yl)methoxy]pyridine is sourced from PubChem (CID 66153757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).