2-(2-chloro-4-methoxybutyl)pyridine

C10H14ClNO — CID 66461980

IUPAC2-(2-chloro-4-methoxybutyl)pyridine
SMILESCOCCC(Cl)Cc1ccccn1
InChIInChI=1S/C10H14ClNO/c1-13-7-5-9(11)8-10-4-2-3-6-12-10/h2-4,6,9H,5,7-8H2,1H3
InChIKeyKRBOZKYKWNOEBD-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.27
Rot. Bonds5

About 2-(2-chloro-4-methoxybutyl)pyridine

2-(2-chloro-4-methoxybutyl)pyridine (PubChem CID 66461980) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxybutyl)pyridine.

Molecular Properties

Compound Name2-(2-chloro-4-methoxybutyl)pyridine
PubChem CID66461980
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-(2-chloro-4-methoxybutyl)pyridine
SMILESCOCCC(Cl)Cc1ccccn1
InChIInChI=1S/C10H14ClNO/c1-13-7-5-9(11)8-10-4-2-3-6-12-10/h2-4,6,9H,5,7-8H2,1H3
InChIKeyKRBOZKYKWNOEBD-UHFFFAOYSA-N
XLogP2.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.27
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-chlorononyl)pyridine
CID 66459167
2-(2-chloro-3,3-dimethylbutyl)pyridine
CID 63203181
2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine
CID 175722818
N-ethyl-1-(2-methoxyethoxy)-3-pyridin-2-ylpropan-2-amine
CID 114032870
2-[2-chloro-2-(2,4,5-trimethoxyphenyl)ethyl]pyridine
CID 66460381
2-(2-methoxy-3,3-dimethylbutyl)pyridine
CID 86130938
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide
CID 111784780
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
(6-methoxy-1-pyridin-2-ylhexan-3-yl)hydrazine
CID 105342539
2-(2-chloro-3,3,3-trifluoropropyl)pyridine
CID 66461379
2-(2-propoxypropyl)pyridine
CID 121216796
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-1-pyridin-2-ylbutan-2-amine
CID 140879240

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxybutyl)pyridine?
The IUPAC name of 2-(2-chloro-4-methoxybutyl)pyridine (CID 66461980) is 2-(2-chloro-4-methoxybutyl)pyridine.
What is the SMILES notation for 2-(2-chloro-4-methoxybutyl)pyridine?
The canonical SMILES for 2-(2-chloro-4-methoxybutyl)pyridine is COCCC(Cl)Cc1ccccn1.
What is the InChIKey of 2-(2-chloro-4-methoxybutyl)pyridine?
The InChIKey is KRBOZKYKWNOEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-13-7-5-9(11)8-10-4-2-3-6-12-10/h2-4,6,9H,5,7-8H2,1H3.
What are the key properties of 2-(2-chloro-4-methoxybutyl)pyridine?
2-(2-chloro-4-methoxybutyl)pyridine has a molecular weight of 199.68 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxybutyl)pyridine is sourced from PubChem (CID 66461980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).