2-butoxy-5-chloro-4-(chloromethyl)pyridine

C10H13Cl2NO — CID 114921209

IUPAC2-butoxy-5-chloro-4-(chloromethyl)pyridine
SMILESCCCCOc1cc(CCl)c(Cl)cn1
InChIInChI=1S/C10H13Cl2NO/c1-2-3-4-14-10-5-8(6-11)9(12)7-13-10/h5,7H,2-4,6H2,1H3
InChIKeyADOVANGIAMMHKC-UHFFFAOYSA-N
MW234.13 g/mol
LogP3.65
Rot. Bonds5

About 2-butoxy-5-chloro-4-(chloromethyl)pyridine

2-butoxy-5-chloro-4-(chloromethyl)pyridine (PubChem CID 114921209) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 2-butoxy-5-chloro-4-(chloromethyl)pyridine.

Molecular Properties

Compound Name2-butoxy-5-chloro-4-(chloromethyl)pyridine
PubChem CID114921209
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name2-butoxy-5-chloro-4-(chloromethyl)pyridine
SMILESCCCCOc1cc(CCl)c(Cl)cn1
InChIInChI=1S/C10H13Cl2NO/c1-2-3-4-14-10-5-8(6-11)9(12)7-13-10/h5,7H,2-4,6H2,1H3
InChIKeyADOVANGIAMMHKC-UHFFFAOYSA-N
XLogP3.65
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-butoxy-5-chloro-4-(chloromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine
CID 114921190
N-[(2-butoxy-5-chloro-4-pyridinyl)methyl]propan-2-amine
CID 114927879
N-[[2-(2-butoxyethoxy)-5-chloro-4-pyridinyl]methyl]propan-1-amine
CID 114927751
N-[2-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 114921341
5-chloro-4-(chloromethyl)-2-(2-phenoxyethoxy)pyridine
CID 114921193
5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine
CID 114921279
N-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine
CID 114927869
N-[(5-chloro-2-pent-4-enoxy-4-pyridinyl)methyl]propan-1-amine
CID 114928877
5-chloro-4-(chloromethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine
CID 114921335
5-chloro-4-(chloromethyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine
CID 114921355
[5-chloro-2-(3,3-dimethylbutoxy)-4-pyridinyl]methanol
CID 114920735
2-(2-butoxyethoxy)-3-chloro-5-(chloromethyl)pyridine
CID 61267855

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-5-chloro-4-(chloromethyl)pyridine?
The IUPAC name of 2-butoxy-5-chloro-4-(chloromethyl)pyridine (CID 114921209) is 2-butoxy-5-chloro-4-(chloromethyl)pyridine.
What is the SMILES notation for 2-butoxy-5-chloro-4-(chloromethyl)pyridine?
The canonical SMILES for 2-butoxy-5-chloro-4-(chloromethyl)pyridine is CCCCOc1cc(CCl)c(Cl)cn1.
What is the InChIKey of 2-butoxy-5-chloro-4-(chloromethyl)pyridine?
The InChIKey is ADOVANGIAMMHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-2-3-4-14-10-5-8(6-11)9(12)7-13-10/h5,7H,2-4,6H2,1H3.
What are the key properties of 2-butoxy-5-chloro-4-(chloromethyl)pyridine?
2-butoxy-5-chloro-4-(chloromethyl)pyridine has a molecular weight of 234.13 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5-chloro-4-(chloromethyl)pyridine is sourced from PubChem (CID 114921209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).