2-chloro-3-(4-methylpentoxymethyl)pyridine

C12H18ClNO — CID 62471573

IUPAC2-chloro-3-(4-methylpentoxymethyl)pyridine
SMILESCC(C)CCCOCc1cccnc1Cl
InChIInChI=1S/C12H18ClNO/c1-10(2)5-4-8-15-9-11-6-3-7-14-12(11)13/h3,6-7,10H,4-5,8-9H2,1-2H3
InChIKeyPJINFCZJCZDBFZ-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.69
Rot. Bonds6

About 2-chloro-3-(4-methylpentoxymethyl)pyridine

2-chloro-3-(4-methylpentoxymethyl)pyridine (PubChem CID 62471573) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-chloro-3-(4-methylpentoxymethyl)pyridine.

Molecular Properties

Compound Name2-chloro-3-(4-methylpentoxymethyl)pyridine
PubChem CID62471573
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-chloro-3-(4-methylpentoxymethyl)pyridine
SMILESCC(C)CCCOCc1cccnc1Cl
InChIInChI=1S/C12H18ClNO/c1-10(2)5-4-8-15-9-11-6-3-7-14-12(11)13/h3,6-7,10H,4-5,8-9H2,1-2H3
InChIKeyPJINFCZJCZDBFZ-UHFFFAOYSA-N
XLogP3.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-(4-methylpentoxy)pyridine
CID 83157028
3-(4-methylpentoxymethyl)pyridine-2-carboxylic acid
CID 55179936
4-methylpentyl 2-chloropyridine-3-carboxylate
CID 63841332
[2-(4-methylpentoxy)-3-pyridinyl]methanamine
CID 28994806
2-chloro-3-[(2-methylpropan-2-yl)oxymethyl]pyridine
CID 62470687
N-methyl-1-[2-(4-methylpentoxy)-3-pyridinyl]methanamine
CID 62292560
2-fluoro-3-(4-methylpentoxymethyl)aniline
CID 107347911
1-(chloromethyl)-2-(4-methylpentoxy)benzene
CID 29004036
N-ethyl-2-[2-(4-methylpentoxymethyl)phenyl]ethanamine
CID 115464625
N'-hydroxy-2-(4-methylpentoxymethyl)benzenecarboximidamide
CID 43128393
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 22450444
1-[2-[(2-chloro-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 106484619

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-methylpentoxymethyl)pyridine?
The IUPAC name of 2-chloro-3-(4-methylpentoxymethyl)pyridine (CID 62471573) is 2-chloro-3-(4-methylpentoxymethyl)pyridine.
What is the SMILES notation for 2-chloro-3-(4-methylpentoxymethyl)pyridine?
The canonical SMILES for 2-chloro-3-(4-methylpentoxymethyl)pyridine is CC(C)CCCOCc1cccnc1Cl.
What is the InChIKey of 2-chloro-3-(4-methylpentoxymethyl)pyridine?
The InChIKey is PJINFCZJCZDBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-10(2)5-4-8-15-9-11-6-3-7-14-12(11)13/h3,6-7,10H,4-5,8-9H2,1-2H3.
What are the key properties of 2-chloro-3-(4-methylpentoxymethyl)pyridine?
2-chloro-3-(4-methylpentoxymethyl)pyridine has a molecular weight of 227.73 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4-methylpentoxymethyl)pyridine is sourced from PubChem (CID 62471573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).