5-chloro-4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine

C11H15Cl2NO2 — CID 114921190

IUPAC5-chloro-4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine
SMILESCC(C)OCCOc1cc(CCl)c(Cl)cn1
InChIInChI=1S/C11H15Cl2NO2/c1-8(2)15-3-4-16-11-5-9(6-12)10(13)7-14-11/h5,7-8H,3-4,6H2,1-2H3
InChIKeyMONACBCARVPLSL-UHFFFAOYSA-N
MW264.15 g/mol
LogP3.28
Rot. Bonds6

About 5-chloro-4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine

5-chloro-4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine (PubChem CID 114921190) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine
PubChem CID114921190
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name5-chloro-4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine
SMILESCC(C)OCCOc1cc(CCl)c(Cl)cn1
InChIInChI=1S/C11H15Cl2NO2/c1-8(2)15-3-4-16-11-5-9(6-12)10(13)7-14-11/h5,7-8H,3-4,6H2,1-2H3
InChIKeyMONACBCARVPLSL-UHFFFAOYSA-N
XLogP3.28
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine?
The IUPAC name of 5-chloro-4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine (CID 114921190) is 5-chloro-4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine?
The canonical SMILES for 5-chloro-4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine is CC(C)OCCOc1cc(CCl)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine?
The InChIKey is MONACBCARVPLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2/c1-8(2)15-3-4-16-11-5-9(6-12)10(13)7-14-11/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 5-chloro-4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine?
5-chloro-4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine has a molecular weight of 264.15 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine is sourced from PubChem (CID 114921190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).