2-butoxy-3,5-dichloropyridin-4-amine

C9H12Cl2N2O — CID 21388649

IUPAC2-butoxy-3,5-dichloropyridin-4-amine
SMILESCCCCOc1ncc(Cl)c(N)c1Cl
InChIInChI=1S/C9H12Cl2N2O/c1-2-3-4-14-9-7(11)8(12)6(10)5-13-9/h5H,2-4H2,1H3,(H2,12,13)
InChIKeyZDBFSQZBNNUMJQ-UHFFFAOYSA-N
MW235.11 g/mol
LogP3.15
Rot. Bonds4

About 2-butoxy-3,5-dichloropyridin-4-amine

2-butoxy-3,5-dichloropyridin-4-amine (PubChem CID 21388649) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is 2-butoxy-3,5-dichloropyridin-4-amine.

Molecular Properties

Compound Name2-butoxy-3,5-dichloropyridin-4-amine
PubChem CID21388649
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name2-butoxy-3,5-dichloropyridin-4-amine
SMILESCCCCOc1ncc(Cl)c(N)c1Cl
InChIInChI=1S/C9H12Cl2N2O/c1-2-3-4-14-9-7(11)8(12)6(10)5-13-9/h5H,2-4H2,1H3,(H2,12,13)
InChIKeyZDBFSQZBNNUMJQ-UHFFFAOYSA-N
XLogP3.15
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-3,5-dichloropyridin-4-amine?
The IUPAC name of 2-butoxy-3,5-dichloropyridin-4-amine (CID 21388649) is 2-butoxy-3,5-dichloropyridin-4-amine.
What is the SMILES notation for 2-butoxy-3,5-dichloropyridin-4-amine?
The canonical SMILES for 2-butoxy-3,5-dichloropyridin-4-amine is CCCCOc1ncc(Cl)c(N)c1Cl.
What is the InChIKey of 2-butoxy-3,5-dichloropyridin-4-amine?
The InChIKey is ZDBFSQZBNNUMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O/c1-2-3-4-14-9-7(11)8(12)6(10)5-13-9/h5H,2-4H2,1H3,(H2,12,13).
What are the key properties of 2-butoxy-3,5-dichloropyridin-4-amine?
2-butoxy-3,5-dichloropyridin-4-amine has a molecular weight of 235.11 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-3,5-dichloropyridin-4-amine is sourced from PubChem (CID 21388649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).