2-chloro-4-(2-cyclobutylethoxy)-5-methylpyridine

C12H16ClNO — CID 106201416

IUPAC2-chloro-4-(2-cyclobutylethoxy)-5-methylpyridine
SMILESCc1cnc(Cl)cc1OCCC1CCC1
InChIInChI=1S/C12H16ClNO/c1-9-8-14-12(13)7-11(9)15-6-5-10-3-2-4-10/h7-8,10H,2-6H2,1H3
InChIKeyFZNSKPPFTGHRHC-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.61
Rot. Bonds4

About 2-chloro-4-(2-cyclobutylethoxy)-5-methylpyridine

2-chloro-4-(2-cyclobutylethoxy)-5-methylpyridine (PubChem CID 106201416) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-4-(2-cyclobutylethoxy)-5-methylpyridine.

Molecular Properties

Compound Name2-chloro-4-(2-cyclobutylethoxy)-5-methylpyridine
PubChem CID106201416
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-chloro-4-(2-cyclobutylethoxy)-5-methylpyridine
SMILESCc1cnc(Cl)cc1OCCC1CCC1
InChIInChI=1S/C12H16ClNO/c1-9-8-14-12(13)7-11(9)15-6-5-10-3-2-4-10/h7-8,10H,2-6H2,1H3
InChIKeyFZNSKPPFTGHRHC-UHFFFAOYSA-N
XLogP3.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-4-methoxypyridine
CID 1991128
4-((2,6-Dichlorobenzyl)oxy)pyridine
CID 664609
2-Chloro-4-(2,2,2-trifluoroethoxy)pyridine
CID 51358479
4-(Benzyloxy)-2-chloropyridine
CID 53404197
6-Chloro-4-methoxypyridine-3-carbonitrile
CID 54758841
2-Chloro-4-methoxy-3-(trifluoromethyl)pyridine
CID 58115687
2-Chloro-4-[(1-methylpiperidin-4-yl)oxy]pyridine
CID 58483104
2-Chloro-5-(chloromethyl)-4-methoxypyridine
CID 92134649
2-Chloro-5-ethoxy-4-methylpyridine
CID 126994986
3-(Chloromethyl)-4-methoxypyridine hydrochloride
CID 119031440
1-(6-Chloro-4-methoxypyridin-3-yl)methanamine dihydrochloride
CID 170913665
4-[(2,4-Dichlorophenyl)methoxy]pyridine
CID 736563

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-cyclobutylethoxy)-5-methylpyridine?
The IUPAC name of 2-chloro-4-(2-cyclobutylethoxy)-5-methylpyridine (CID 106201416) is 2-chloro-4-(2-cyclobutylethoxy)-5-methylpyridine.
What is the SMILES notation for 2-chloro-4-(2-cyclobutylethoxy)-5-methylpyridine?
The canonical SMILES for 2-chloro-4-(2-cyclobutylethoxy)-5-methylpyridine is Cc1cnc(Cl)cc1OCCC1CCC1.
What is the InChIKey of 2-chloro-4-(2-cyclobutylethoxy)-5-methylpyridine?
The InChIKey is FZNSKPPFTGHRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9-8-14-12(13)7-11(9)15-6-5-10-3-2-4-10/h7-8,10H,2-6H2,1H3.
What are the key properties of 2-chloro-4-(2-cyclobutylethoxy)-5-methylpyridine?
2-chloro-4-(2-cyclobutylethoxy)-5-methylpyridine has a molecular weight of 225.72 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-cyclobutylethoxy)-5-methylpyridine is sourced from PubChem (CID 106201416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).