2-[1-[(6-chloro-3-pyridinyl)amino]ethyl]benzene-1,3-diol

C13H13ClN2O2 — CID 107711179

IUPAC2-[1-[(6-chloro-3-pyridinyl)amino]ethyl]benzene-1,3-diol
SMILESCC(Nc1ccc(Cl)nc1)c1c(O)cccc1O
InChIInChI=1S/C13H13ClN2O2/c1-8(13-10(17)3-2-4-11(13)18)16-9-5-6-12(14)15-7-9/h2-8,16-18H,1H3
InChIKeyKNTRELZEOZNAMK-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.32
Rot. Bonds3

About 2-[1-[(6-chloro-3-pyridinyl)amino]ethyl]benzene-1,3-diol

2-[1-[(6-chloro-3-pyridinyl)amino]ethyl]benzene-1,3-diol (PubChem CID 107711179) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-[1-[(6-chloro-3-pyridinyl)amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[1-[(6-chloro-3-pyridinyl)amino]ethyl]benzene-1,3-diol
PubChem CID107711179
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-[1-[(6-chloro-3-pyridinyl)amino]ethyl]benzene-1,3-diol
SMILESCC(Nc1ccc(Cl)nc1)c1c(O)cccc1O
InChIInChI=1S/C13H13ClN2O2/c1-8(13-10(17)3-2-4-11(13)18)16-9-5-6-12(14)15-7-9/h2-8,16-18H,1H3
InChIKeyKNTRELZEOZNAMK-UHFFFAOYSA-N
XLogP3.32
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3-fluoro-4-hydroxyanilino)ethyl]benzene-1,3-diol
CID 107711014
6-chloro-N-[(2S)-4-methylpentan-2-yl]pyridin-3-amine
CID 97358406
6-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 106758003
2-[1-(4-propylanilino)ethyl]benzene-1,3-diol
CID 107710477
2-[1-(2,4,6-trichloroanilino)ethyl]benzene-1,3-diol
CID 107710532
2-[1-(3-bromoanilino)ethyl]benzene-1,3-diol
CID 107710405
2-[1-(2-chloro-5-fluoroanilino)ethyl]benzene-1,3-diol
CID 107711364
2-[1-(3-methylsulfanylanilino)ethyl]benzene-1,3-diol
CID 107710302
6-chloro-N-trimethylsilylpyridin-3-amine
CID 134860798
6-chloro-N-prop-1-en-2-ylpyridin-3-amine
CID 89013102
N-(6-chloro-3-pyridinyl)propane-2-sulfonamide
CID 57157565
2-[1-(3-methylsulfonylanilino)ethyl]benzene-1,3-diol
CID 107710778

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-chloro-3-pyridinyl)amino]ethyl]benzene-1,3-diol?
The IUPAC name of 2-[1-[(6-chloro-3-pyridinyl)amino]ethyl]benzene-1,3-diol (CID 107711179) is 2-[1-[(6-chloro-3-pyridinyl)amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 2-[1-[(6-chloro-3-pyridinyl)amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 2-[1-[(6-chloro-3-pyridinyl)amino]ethyl]benzene-1,3-diol is CC(Nc1ccc(Cl)nc1)c1c(O)cccc1O.
What is the InChIKey of 2-[1-[(6-chloro-3-pyridinyl)amino]ethyl]benzene-1,3-diol?
The InChIKey is KNTRELZEOZNAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-8(13-10(17)3-2-4-11(13)18)16-9-5-6-12(14)15-7-9/h2-8,16-18H,1H3.
What are the key properties of 2-[1-[(6-chloro-3-pyridinyl)amino]ethyl]benzene-1,3-diol?
2-[1-[(6-chloro-3-pyridinyl)amino]ethyl]benzene-1,3-diol has a molecular weight of 264.71 g/mol, XLogP of 3.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-chloro-3-pyridinyl)amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107711179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).