N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine

C15H16Cl2N2 — CID 45486197

IUPACN-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine
SMILESCCCCNc1ccc(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C15H16Cl2N2/c1-2-3-9-18-14-8-7-11(10-19-14)12-5-4-6-13(16)15(12)17/h4-8,10H,2-3,9H2,1H3,(H,18,19)
InChIKeyGZCOADUJIGQWGB-UHFFFAOYSA-N
MW295.21 g/mol
LogP5.27
Rot. Bonds5

About N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine

N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine (PubChem CID 45486197) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine
PubChem CID45486197
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC NameN-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine
SMILESCCCCNc1ccc(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C15H16Cl2N2/c1-2-3-9-18-14-8-7-11(10-19-14)12-5-4-6-13(16)15(12)17/h4-8,10H,2-3,9H2,1H3,(H,18,19)
InChIKeyGZCOADUJIGQWGB-UHFFFAOYSA-N
XLogP5.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.21
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine?
The IUPAC name of N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine (CID 45486197) is N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine.
What is the SMILES notation for N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine?
The canonical SMILES for N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine is CCCCNc1ccc(-c2cccc(Cl)c2Cl)cn1.
What is the InChIKey of N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine?
The InChIKey is GZCOADUJIGQWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-2-3-9-18-14-8-7-11(10-19-14)12-5-4-6-13(16)15(12)17/h4-8,10H,2-3,9H2,1H3,(H,18,19).
What are the key properties of N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine?
N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine has a molecular weight of 295.21 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(2,3-dichlorophenyl)pyridin-2-amine is sourced from PubChem (CID 45486197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).