2-(2-chloroethoxy)pyridin-4-amine

C7H9ClN2O — CID 174645890

IUPAC2-(2-chloroethoxy)pyridin-4-amine
SMILESNc1ccnc(OCCCl)c1
InChIInChI=1S/C7H9ClN2O/c8-2-4-11-7-5-6(9)1-3-10-7/h1,3,5H,2,4H2,(H2,9,10)
InChIKeyPQFNXFXECFABSE-UHFFFAOYSA-N
MW172.62 g/mol
LogP1.28
Rot. Bonds3

About 2-(2-chloroethoxy)pyridin-4-amine

2-(2-chloroethoxy)pyridin-4-amine (PubChem CID 174645890) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is 2-(2-chloroethoxy)pyridin-4-amine.

Molecular Properties

Compound Name2-(2-chloroethoxy)pyridin-4-amine
PubChem CID174645890
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Name2-(2-chloroethoxy)pyridin-4-amine
SMILESNc1ccnc(OCCCl)c1
InChIInChI=1S/C7H9ClN2O/c8-2-4-11-7-5-6(9)1-3-10-7/h1,3,5H,2,4H2,(H2,9,10)
InChIKeyPQFNXFXECFABSE-UHFFFAOYSA-N
XLogP1.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(2-chloroethoxy)pyridin-4-amine?
The IUPAC name of 2-(2-chloroethoxy)pyridin-4-amine (CID 174645890) is 2-(2-chloroethoxy)pyridin-4-amine.
What is the SMILES notation for 2-(2-chloroethoxy)pyridin-4-amine?
The canonical SMILES for 2-(2-chloroethoxy)pyridin-4-amine is Nc1ccnc(OCCCl)c1.
What is the InChIKey of 2-(2-chloroethoxy)pyridin-4-amine?
The InChIKey is PQFNXFXECFABSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c8-2-4-11-7-5-6(9)1-3-10-7/h1,3,5H,2,4H2,(H2,9,10).
What are the key properties of 2-(2-chloroethoxy)pyridin-4-amine?
2-(2-chloroethoxy)pyridin-4-amine has a molecular weight of 172.62 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)pyridin-4-amine is sourced from PubChem (CID 174645890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).