3-chloro-5-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine

C12H17Cl2NO2 — CID 106448479

IUPAC3-chloro-5-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine
SMILESCC(C)COCCOc1ncc(CCl)cc1Cl
InChIInChI=1S/C12H17Cl2NO2/c1-9(2)8-16-3-4-17-12-11(14)5-10(6-13)7-15-12/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyIZRWUMOMOGHDOP-UHFFFAOYSA-N
MW278.18 g/mol
LogP3.53
Rot. Bonds7

About 3-chloro-5-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine

3-chloro-5-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine (PubChem CID 106448479) has the molecular formula C12H17Cl2NO2 and a molecular weight of 278.18 g/mol. Its IUPAC name is 3-chloro-5-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine.

Molecular Properties

Compound Name3-chloro-5-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine
PubChem CID106448479
Molecular FormulaC12H17Cl2NO2
Molecular Weight278.18 g/mol
Exact Mass277.06
IUPAC Name3-chloro-5-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine
SMILESCC(C)COCCOc1ncc(CCl)cc1Cl
InChIInChI=1S/C12H17Cl2NO2/c1-9(2)8-16-3-4-17-12-11(14)5-10(6-13)7-15-12/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyIZRWUMOMOGHDOP-UHFFFAOYSA-N
XLogP3.53
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 53.53
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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Related Compounds

N-[[5-chloro-6-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106449522
2-(2-butoxyethoxy)-3-chloro-5-(chloromethyl)pyridine
CID 61267855
3-chloro-5-(chloromethyl)-2-pentoxypyridine
CID 61267494
3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448463
5-chloro-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448551
N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 55058238
1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine
CID 62292187
1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]-N-methylmethanamine
CID 114035761
[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methanamine
CID 103405668
3-chloro-6-[2-(2-methylpropoxy)ethoxy]pyridazine
CID 106447482
N-[[6-(2-butoxyethoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine
CID 62291810
N-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62290699

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine?
The IUPAC name of 3-chloro-5-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine (CID 106448479) is 3-chloro-5-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine.
What is the SMILES notation for 3-chloro-5-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine?
The canonical SMILES for 3-chloro-5-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine is CC(C)COCCOc1ncc(CCl)cc1Cl.
What is the InChIKey of 3-chloro-5-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine?
The InChIKey is IZRWUMOMOGHDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO2/c1-9(2)8-16-3-4-17-12-11(14)5-10(6-13)7-15-12/h5,7,9H,3-4,6,8H2,1-2H3.
What are the key properties of 3-chloro-5-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine?
3-chloro-5-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine has a molecular weight of 278.18 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine is sourced from PubChem (CID 106448479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).