3-(chloromethyl)-4,6-dimethyl-2-(3-pyridin-4-ylpropoxy)pyridine

C16H19ClN2O — CID 61269144

IUPAC3-(chloromethyl)-4,6-dimethyl-2-(3-pyridin-4-ylpropoxy)pyridine
SMILESCc1cc(C)c(CCl)c(OCCCc2ccncc2)n1
InChIInChI=1S/C16H19ClN2O/c1-12-10-13(2)19-16(15(12)11-17)20-9-3-4-14-5-7-18-8-6-14/h5-8,10H,3-4,9,11H2,1-2H3
InChIKeyCYLZQPNIURYCQB-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.84
Rot. Bonds6

About 3-(chloromethyl)-4,6-dimethyl-2-(3-pyridin-4-ylpropoxy)pyridine

3-(chloromethyl)-4,6-dimethyl-2-(3-pyridin-4-ylpropoxy)pyridine (PubChem CID 61269144) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 3-(chloromethyl)-4,6-dimethyl-2-(3-pyridin-4-ylpropoxy)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-4,6-dimethyl-2-(3-pyridin-4-ylpropoxy)pyridine
PubChem CID61269144
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name3-(chloromethyl)-4,6-dimethyl-2-(3-pyridin-4-ylpropoxy)pyridine
SMILESCc1cc(C)c(CCl)c(OCCCc2ccncc2)n1
InChIInChI=1S/C16H19ClN2O/c1-12-10-13(2)19-16(15(12)11-17)20-9-3-4-14-5-7-18-8-6-14/h5-8,10H,3-4,9,11H2,1-2H3
InChIKeyCYLZQPNIURYCQB-UHFFFAOYSA-N
XLogP3.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.84
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

5-(chloromethyl)-2-methyl-4-(3-pyridin-4-ylpropoxy)pyridine
CID 81235009
4-chloro-2,5-dimethyl-6-(3-pyridin-4-ylpropoxy)pyrimidine
CID 55229088
2-chloro-5-methyl-4-(3-pyridin-4-ylpropoxy)aniline
CID 115555280
3-(chloromethyl)-2-(4-methoxyphenoxy)-4,6-dimethylpyridine
CID 61270107
2,5-dimethyl-6-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine
CID 80865296
3-(chloromethyl)-2-(3,4-dimethylphenoxy)-4,6-dimethylpyridine
CID 55200335
4-chloro-5-methyl-2-propyl-6-(3-pyridin-4-ylpropoxy)pyrimidine
CID 80974467
2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboxylic acid
CID 81037807
2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carbothioamide
CID 81037735
N'-hydroxy-6-methyl-2-(3-pyridin-4-ylpropoxy)pyrimidine-4-carboximidamide
CID 136907231
3-(chloromethyl)-4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine
CID 63446366
[2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 81278633

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4,6-dimethyl-2-(3-pyridin-4-ylpropoxy)pyridine?
The IUPAC name of 3-(chloromethyl)-4,6-dimethyl-2-(3-pyridin-4-ylpropoxy)pyridine (CID 61269144) is 3-(chloromethyl)-4,6-dimethyl-2-(3-pyridin-4-ylpropoxy)pyridine.
What is the SMILES notation for 3-(chloromethyl)-4,6-dimethyl-2-(3-pyridin-4-ylpropoxy)pyridine?
The canonical SMILES for 3-(chloromethyl)-4,6-dimethyl-2-(3-pyridin-4-ylpropoxy)pyridine is Cc1cc(C)c(CCl)c(OCCCc2ccncc2)n1.
What is the InChIKey of 3-(chloromethyl)-4,6-dimethyl-2-(3-pyridin-4-ylpropoxy)pyridine?
The InChIKey is CYLZQPNIURYCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-12-10-13(2)19-16(15(12)11-17)20-9-3-4-14-5-7-18-8-6-14/h5-8,10H,3-4,9,11H2,1-2H3.
What are the key properties of 3-(chloromethyl)-4,6-dimethyl-2-(3-pyridin-4-ylpropoxy)pyridine?
3-(chloromethyl)-4,6-dimethyl-2-(3-pyridin-4-ylpropoxy)pyridine has a molecular weight of 290.79 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4,6-dimethyl-2-(3-pyridin-4-ylpropoxy)pyridine is sourced from PubChem (CID 61269144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).