3-(chloromethyl)-2-methyl-6-[2-(2-methylpropoxy)phenyl]pyridine

C17H20ClNO — CID 82452946

IUPAC3-(chloromethyl)-2-methyl-6-[2-(2-methylpropoxy)phenyl]pyridine
SMILESCc1nc(-c2ccccc2OCC(C)C)ccc1CCl
InChIInChI=1S/C17H20ClNO/c1-12(2)11-20-17-7-5-4-6-15(17)16-9-8-14(10-18)13(3)19-16/h4-9,12H,10-11H2,1-3H3
InChIKeyGZAQCHQSEWWDQO-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.83
Rot. Bonds5

About 3-(chloromethyl)-2-methyl-6-[2-(2-methylpropoxy)phenyl]pyridine

3-(chloromethyl)-2-methyl-6-[2-(2-methylpropoxy)phenyl]pyridine (PubChem CID 82452946) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-(chloromethyl)-2-methyl-6-[2-(2-methylpropoxy)phenyl]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-methyl-6-[2-(2-methylpropoxy)phenyl]pyridine
PubChem CID82452946
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name3-(chloromethyl)-2-methyl-6-[2-(2-methylpropoxy)phenyl]pyridine
SMILESCc1nc(-c2ccccc2OCC(C)C)ccc1CCl
InChIInChI=1S/C17H20ClNO/c1-12(2)11-20-17-7-5-4-6-15(17)16-9-8-14(10-18)13(3)19-16/h4-9,12H,10-11H2,1-3H3
InChIKeyGZAQCHQSEWWDQO-UHFFFAOYSA-N
XLogP4.83
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]propan-2-amine
CID 82452952
[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]methanamine
CID 82452931
N-[[6-(2-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82452876
2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one
CID 137084101
3-(chloromethyl)-2-methyl-6-(2,4,5-trichlorophenyl)pyridine
CID 165352055
6-(2-ethoxyphenyl)-2-methylpyridin-3-amine
CID 82467687
1-(chloromethyl)-4-methoxy-2-(2-methylpropoxy)benzene
CID 61268907
3-[2-(2-methylpropoxy)phenyl]pyridine-2,6-diamine
CID 139370148
2-[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]acetonitrile
CID 82452851
6-(2-butoxyphenyl)-2-methylpyridine-3-carbaldehyde
CID 82452921
[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methanol
CID 82453206
3-[2-(2-methylpropoxy)phenyl]-6-oxo-1H-pyridazine-5-carbonyl chloride
CID 82445899

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-methyl-6-[2-(2-methylpropoxy)phenyl]pyridine?
The IUPAC name of 3-(chloromethyl)-2-methyl-6-[2-(2-methylpropoxy)phenyl]pyridine (CID 82452946) is 3-(chloromethyl)-2-methyl-6-[2-(2-methylpropoxy)phenyl]pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-methyl-6-[2-(2-methylpropoxy)phenyl]pyridine?
The canonical SMILES for 3-(chloromethyl)-2-methyl-6-[2-(2-methylpropoxy)phenyl]pyridine is Cc1nc(-c2ccccc2OCC(C)C)ccc1CCl.
What is the InChIKey of 3-(chloromethyl)-2-methyl-6-[2-(2-methylpropoxy)phenyl]pyridine?
The InChIKey is GZAQCHQSEWWDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-12(2)11-20-17-7-5-4-6-15(17)16-9-8-14(10-18)13(3)19-16/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 3-(chloromethyl)-2-methyl-6-[2-(2-methylpropoxy)phenyl]pyridine?
3-(chloromethyl)-2-methyl-6-[2-(2-methylpropoxy)phenyl]pyridine has a molecular weight of 289.81 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-methyl-6-[2-(2-methylpropoxy)phenyl]pyridine is sourced from PubChem (CID 82452946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).