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

C10H14ClNO — CID 63777400

IUPAC2-chloro-4-(3-methylbutoxy)pyridine
SMILESCC(C)CCOc1ccnc(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-8(2)4-6-13-9-3-5-12-10(11)7-9/h3,5,7-8H,4,6H2,1-2H3
InChIKeyGAYHRUCZIBODCW-UHFFFAOYSA-N
MW199.68 g/mol
LogP3.16
Rot. Bonds4

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

2-chloro-4-(3-methylbutoxy)pyridine (PubChem CID 63777400) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-chloro-4-(3-methylbutoxy)pyridine.

Molecular Properties

Compound Name2-chloro-4-(3-methylbutoxy)pyridine
PubChem CID63777400
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-chloro-4-(3-methylbutoxy)pyridine
SMILESCC(C)CCOc1ccnc(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-8(2)4-6-13-9-3-5-12-10(11)7-9/h3,5,7-8H,4,6H2,1-2H3
InChIKeyGAYHRUCZIBODCW-UHFFFAOYSA-N
XLogP3.16
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(4-methylpentoxy)pyridine
CID 63776506
2-[(2-chloro-4-pyridinyl)oxy]ethanamine
CID 84654514
2-chloro-4-(2-propoxyethoxy)pyridine
CID 63778475
N-[[4-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62292139
2-chloro-4-[3-(2-methoxyethoxy)propoxy]pyridine
CID 103402231
2-[3-(3-methylbutoxy)phenoxy]ethanamine
CID 25256004
2-chloro-4-(2-pyrrolidin-1-ylethoxy)pyridine
CID 63778456
tert-butyl-[3-[(2-chloro-4-pyridinyl)oxy]butoxy]-dimethylsilane
CID 171372611
1-[(2-chloro-4-pyridinyl)oxy]propan-2-yl carbamate
CID 175531201
1-(chloromethyl)-3-(3-methylbutoxy)benzene
CID 28530201
2-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 75525064
2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine
CID 115486493

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-methylbutoxy)pyridine?
The IUPAC name of 2-chloro-4-(3-methylbutoxy)pyridine (CID 63777400) is 2-chloro-4-(3-methylbutoxy)pyridine.
What is the SMILES notation for 2-chloro-4-(3-methylbutoxy)pyridine?
The canonical SMILES for 2-chloro-4-(3-methylbutoxy)pyridine is CC(C)CCOc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-(3-methylbutoxy)pyridine?
The InChIKey is GAYHRUCZIBODCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-8(2)4-6-13-9-3-5-12-10(11)7-9/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of 2-chloro-4-(3-methylbutoxy)pyridine?
2-chloro-4-(3-methylbutoxy)pyridine has a molecular weight of 199.68 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-methylbutoxy)pyridine is sourced from PubChem (CID 63777400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).