2-(2-Chloropyridin-4-ylamino)ethanol

C7H9ClN2O — CID 89246623

IUPAC2-[(2-chloro-4-pyridinyl)amino]ethanol
SMILESC1=CN=C(C=C1NCCO)Cl
InChIInChI=1S/C7H9ClN2O/c8-7-5-6(1-2-10-7)9-3-4-11/h1-2,5,11H,3-4H2,(H,9,10)
InChIKeyHTKWOLZVBMRSAK-UHFFFAOYSA-N
MW172.61 g/mol
LogP1.10
Rot. Bonds3

About 2-(2-Chloropyridin-4-ylamino)ethanol

2-(2-Chloropyridin-4-ylamino)ethanol (PubChem CID 89246623) has the molecular formula C7H9ClN2O and a molecular weight of 172.61 g/mol. Its IUPAC name is 2-[(2-chloro-4-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name2-(2-Chloropyridin-4-ylamino)ethanol
PubChem CID89246623
Molecular FormulaC7H9ClN2O
Molecular Weight172.61 g/mol
Exact Mass172.04
IUPAC Name2-[(2-chloro-4-pyridinyl)amino]ethanol
SMILESC1=CN=C(C=C1NCCO)Cl
InChIInChI=1S/C7H9ClN2O/c8-7-5-6(1-2-10-7)9-3-4-11/h1-2,5,11H,3-4H2,(H,9,10)
InChIKeyHTKWOLZVBMRSAK-UHFFFAOYSA-N
XLogP1.10
TPSA45.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity113

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-Chloropyridin-4-ylamino)ethanol?
The IUPAC name of 2-(2-Chloropyridin-4-ylamino)ethanol (CID 89246623) is 2-[(2-chloro-4-pyridinyl)amino]ethanol.
What is the SMILES notation for 2-(2-Chloropyridin-4-ylamino)ethanol?
The canonical SMILES for 2-(2-Chloropyridin-4-ylamino)ethanol is C1=CN=C(C=C1NCCO)Cl.
What is the InChIKey of 2-(2-Chloropyridin-4-ylamino)ethanol?
The InChIKey is HTKWOLZVBMRSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c8-7-5-6(1-2-10-7)9-3-4-11/h1-2,5,11H,3-4H2,(H,9,10).
What are the key properties of 2-(2-Chloropyridin-4-ylamino)ethanol?
2-(2-Chloropyridin-4-ylamino)ethanol has a molecular weight of 172.61 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-Chloropyridin-4-ylamino)ethanol is sourced from PubChem (CID 89246623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).