2,5-dichloro-N-(2-methoxyethyl)pyridin-4-amine

C8H10Cl2N2O — CID 90939927

IUPAC2,5-dichloro-N-(2-methoxyethyl)pyridin-4-amine
SMILESCOCCNc1cc(Cl)ncc1Cl
InChIInChI=1S/C8H10Cl2N2O/c1-13-3-2-11-7-4-8(10)12-5-6(7)9/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyHNCKPSQZYQPBAU-UHFFFAOYSA-N
MW221.09 g/mol
LogP2.45
Rot. Bonds4

About 2,5-dichloro-N-(2-methoxyethyl)pyridin-4-amine

2,5-dichloro-N-(2-methoxyethyl)pyridin-4-amine (PubChem CID 90939927) has the molecular formula C8H10Cl2N2O and a molecular weight of 221.09 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-methoxyethyl)pyridin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(2-methoxyethyl)pyridin-4-amine
PubChem CID90939927
Molecular FormulaC8H10Cl2N2O
Molecular Weight221.09 g/mol
Exact Mass220.02
IUPAC Name2,5-dichloro-N-(2-methoxyethyl)pyridin-4-amine
SMILESCOCCNc1cc(Cl)ncc1Cl
InChIInChI=1S/C8H10Cl2N2O/c1-13-3-2-11-7-4-8(10)12-5-6(7)9/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyHNCKPSQZYQPBAU-UHFFFAOYSA-N
XLogP2.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-methoxyethyl)pyridin-4-amine?
The IUPAC name of 2,5-dichloro-N-(2-methoxyethyl)pyridin-4-amine (CID 90939927) is 2,5-dichloro-N-(2-methoxyethyl)pyridin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(2-methoxyethyl)pyridin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(2-methoxyethyl)pyridin-4-amine is COCCNc1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-methoxyethyl)pyridin-4-amine?
The InChIKey is HNCKPSQZYQPBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O/c1-13-3-2-11-7-4-8(10)12-5-6(7)9/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 2,5-dichloro-N-(2-methoxyethyl)pyridin-4-amine?
2,5-dichloro-N-(2-methoxyethyl)pyridin-4-amine has a molecular weight of 221.09 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-methoxyethyl)pyridin-4-amine is sourced from PubChem (CID 90939927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).