2-butoxy-6-chloropyridine-4-carbonyl chloride

C10H11Cl2NO2 — CID 21275763

IUPAC2-butoxy-6-chloropyridine-4-carbonyl chloride
SMILESCCCCOc1cc(C(=O)Cl)cc(Cl)n1
InChIInChI=1S/C10H11Cl2NO2/c1-2-3-4-15-9-6-7(10(12)14)5-8(11)13-9/h5-6H,2-4H2,1H3
InChIKeyBAEUQZMOYGTKGF-UHFFFAOYSA-N
MW248.11 g/mol
LogP3.29
Rot. Bonds5

About 2-butoxy-6-chloropyridine-4-carbonyl chloride

2-butoxy-6-chloropyridine-4-carbonyl chloride (PubChem CID 21275763) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is 2-butoxy-6-chloropyridine-4-carbonyl chloride.

Molecular Properties

Compound Name2-butoxy-6-chloropyridine-4-carbonyl chloride
PubChem CID21275763
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC Name2-butoxy-6-chloropyridine-4-carbonyl chloride
SMILESCCCCOc1cc(C(=O)Cl)cc(Cl)n1
InChIInChI=1S/C10H11Cl2NO2/c1-2-3-4-15-9-6-7(10(12)14)5-8(11)13-9/h5-6H,2-4H2,1H3
InChIKeyBAEUQZMOYGTKGF-UHFFFAOYSA-N
XLogP3.29
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-propoxypyridine-4-carboxylic acid
CID 43247945
4-butoxy-3,5-dichlorobenzoyl chloride
CID 87280604
3-butoxy-5-methoxybenzoyl chloride
CID 88582217
4-chloro-6-pentoxy-2-propylpyrimidine
CID 80939155
4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine
CID 80740016
3-butoxy-4-methoxybenzoyl chloride
CID 15733507
3-chloro-4-hexoxy-5-methoxybenzoyl chloride
CID 10063669
4-chloro-6-octoxy-2-propan-2-ylpyrimidine
CID 80948934
methyl 2-butyl-6-chloropyridine-4-carboxylate
CID 174747407
2-chloro-6-heptoxypyridine-4-carbonitrile
CID 83073210
6-butoxy-4-chloropyridin-2-amine
CID 58278129
2-ethoxy-6-propoxypyridine-4-carboxylic acid
CID 130427459

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-6-chloropyridine-4-carbonyl chloride?
The IUPAC name of 2-butoxy-6-chloropyridine-4-carbonyl chloride (CID 21275763) is 2-butoxy-6-chloropyridine-4-carbonyl chloride.
What is the SMILES notation for 2-butoxy-6-chloropyridine-4-carbonyl chloride?
The canonical SMILES for 2-butoxy-6-chloropyridine-4-carbonyl chloride is CCCCOc1cc(C(=O)Cl)cc(Cl)n1.
What is the InChIKey of 2-butoxy-6-chloropyridine-4-carbonyl chloride?
The InChIKey is BAEUQZMOYGTKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c1-2-3-4-15-9-6-7(10(12)14)5-8(11)13-9/h5-6H,2-4H2,1H3.
What are the key properties of 2-butoxy-6-chloropyridine-4-carbonyl chloride?
2-butoxy-6-chloropyridine-4-carbonyl chloride has a molecular weight of 248.11 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-6-chloropyridine-4-carbonyl chloride is sourced from PubChem (CID 21275763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).