3-(chloromethyl)-4,6-dimethyl-2-pentoxypyridine

C13H20ClNO — CID 63446054

IUPAC3-(chloromethyl)-4,6-dimethyl-2-pentoxypyridine
SMILESCCCCCOc1nc(C)cc(C)c1CCl
InChIInChI=1S/C13H20ClNO/c1-4-5-6-7-16-13-12(9-14)10(2)8-11(3)15-13/h8H,4-7,9H2,1-3H3
InChIKeyGXAXMWDWVPZIBX-UHFFFAOYSA-N
MW241.76 g/mol
LogP4.01
Rot. Bonds6

About 3-(chloromethyl)-4,6-dimethyl-2-pentoxypyridine

3-(chloromethyl)-4,6-dimethyl-2-pentoxypyridine (PubChem CID 63446054) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 3-(chloromethyl)-4,6-dimethyl-2-pentoxypyridine.

Molecular Properties

Compound Name3-(chloromethyl)-4,6-dimethyl-2-pentoxypyridine
PubChem CID63446054
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name3-(chloromethyl)-4,6-dimethyl-2-pentoxypyridine
SMILESCCCCCOc1nc(C)cc(C)c1CCl
InChIInChI=1S/C13H20ClNO/c1-4-5-6-7-16-13-12(9-14)10(2)8-11(3)15-13/h8H,4-7,9H2,1-3H3
InChIKeyGXAXMWDWVPZIBX-UHFFFAOYSA-N
XLogP4.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-(4,6-dimethyl-2-pentoxy-3-pyridinyl)-N-methylmethanamine
CID 62296147
N-[(2-hexoxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
CID 63489847
3-(chloromethyl)-4,6-dimethyl-2-(3-pyridin-4-ylpropoxy)pyridine
CID 61269144
1-[[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
CID 79678939
N-[(2-butoxy-4,6-dimethyl-3-pyridinyl)methyl]cyclopropanamine
CID 62290425
3-[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]oxy]propan-1-ol
CID 61255510
4,6-dimethyl-2-octoxypyridine-3-carbothioamide
CID 63519301
3-(chloromethyl)-4,6-dimethyl-2-(2-methylphenoxy)pyridine
CID 61267878
3-(chloromethyl)-2-(4-methoxyphenoxy)-4,6-dimethylpyridine
CID 61270107
3-(chloromethyl)-2-(3,4-dimethylphenoxy)-4,6-dimethylpyridine
CID 55200335
3-(chloromethyl)-4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
CID 66275486
[2-(2-methoxyethoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 61257365

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4,6-dimethyl-2-pentoxypyridine?
The IUPAC name of 3-(chloromethyl)-4,6-dimethyl-2-pentoxypyridine (CID 63446054) is 3-(chloromethyl)-4,6-dimethyl-2-pentoxypyridine.
What is the SMILES notation for 3-(chloromethyl)-4,6-dimethyl-2-pentoxypyridine?
The canonical SMILES for 3-(chloromethyl)-4,6-dimethyl-2-pentoxypyridine is CCCCCOc1nc(C)cc(C)c1CCl.
What is the InChIKey of 3-(chloromethyl)-4,6-dimethyl-2-pentoxypyridine?
The InChIKey is GXAXMWDWVPZIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-4-5-6-7-16-13-12(9-14)10(2)8-11(3)15-13/h8H,4-7,9H2,1-3H3.
What are the key properties of 3-(chloromethyl)-4,6-dimethyl-2-pentoxypyridine?
3-(chloromethyl)-4,6-dimethyl-2-pentoxypyridine has a molecular weight of 241.76 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4,6-dimethyl-2-pentoxypyridine is sourced from PubChem (CID 63446054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).