3,5-dichloro-N-(1-chlorobutan-2-yl)pyridin-2-amine

C9H11Cl3N2 — CID 65030297

IUPAC3,5-dichloro-N-(1-chlorobutan-2-yl)pyridin-2-amine
SMILESCCC(CCl)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl3N2/c1-2-7(4-10)14-9-8(12)3-6(11)5-13-9/h3,5,7H,2,4H2,1H3,(H,13,14)
InChIKeyUYRHVLLDHFIROU-UHFFFAOYSA-N
MW253.56 g/mol
LogP3.82
Rot. Bonds4

About 3,5-dichloro-N-(1-chlorobutan-2-yl)pyridin-2-amine

3,5-dichloro-N-(1-chlorobutan-2-yl)pyridin-2-amine (PubChem CID 65030297) has the molecular formula C9H11Cl3N2 and a molecular weight of 253.56 g/mol. Its IUPAC name is 3,5-dichloro-N-(1-chlorobutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-(1-chlorobutan-2-yl)pyridin-2-amine
PubChem CID65030297
Molecular FormulaC9H11Cl3N2
Molecular Weight253.56 g/mol
Exact Mass252.00
IUPAC Name3,5-dichloro-N-(1-chlorobutan-2-yl)pyridin-2-amine
SMILESCCC(CCl)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl3N2/c1-2-7(4-10)14-9-8(12)3-6(11)5-13-9/h3,5,7H,2,4H2,1H3,(H,13,14)
InChIKeyUYRHVLLDHFIROU-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.56
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(1-chlorobutan-2-yl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-(1-chlorobutan-2-yl)pyridin-2-amine (CID 65030297) is 3,5-dichloro-N-(1-chlorobutan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-(1-chlorobutan-2-yl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-(1-chlorobutan-2-yl)pyridin-2-amine is CCC(CCl)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-(1-chlorobutan-2-yl)pyridin-2-amine?
The InChIKey is UYRHVLLDHFIROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl3N2/c1-2-7(4-10)14-9-8(12)3-6(11)5-13-9/h3,5,7H,2,4H2,1H3,(H,13,14).
What are the key properties of 3,5-dichloro-N-(1-chlorobutan-2-yl)pyridin-2-amine?
3,5-dichloro-N-(1-chlorobutan-2-yl)pyridin-2-amine has a molecular weight of 253.56 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(1-chlorobutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 65030297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).