2-chloro-N-(2-methoxyethyl)pyridin-4-amine

C8H11ClN2O — CID 103721670

IUPAC2-chloro-N-(2-methoxyethyl)pyridin-4-amine
SMILESCOCCNc1ccnc(Cl)c1
InChIInChI=1S/C8H11ClN2O/c1-12-5-4-10-7-2-3-11-8(9)6-7/h2-3,6H,4-5H2,1H3,(H,10,11)
InChIKeyJNKNGTIGSQAADJ-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.79
Rot. Bonds4

About 2-chloro-N-(2-methoxyethyl)pyridin-4-amine

2-chloro-N-(2-methoxyethyl)pyridin-4-amine (PubChem CID 103721670) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)pyridin-4-amine
PubChem CID103721670
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-chloro-N-(2-methoxyethyl)pyridin-4-amine
SMILESCOCCNc1ccnc(Cl)c1
InChIInChI=1S/C8H11ClN2O/c1-12-5-4-10-7-2-3-11-8(9)6-7/h2-3,6H,4-5H2,1H3,(H,10,11)
InChIKeyJNKNGTIGSQAADJ-UHFFFAOYSA-N
XLogP1.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.79
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-chloro-N-(2-methoxyethyl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)pyridin-4-amine (CID 103721670) is 2-chloro-N-(2-methoxyethyl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)pyridin-4-amine is COCCNc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)pyridin-4-amine?
The InChIKey is JNKNGTIGSQAADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-12-5-4-10-7-2-3-11-8(9)6-7/h2-3,6H,4-5H2,1H3,(H,10,11).
What are the key properties of 2-chloro-N-(2-methoxyethyl)pyridin-4-amine?
2-chloro-N-(2-methoxyethyl)pyridin-4-amine has a molecular weight of 186.64 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)pyridin-4-amine is sourced from PubChem (CID 103721670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).