2-[1-[(2-chloro-3-pyridinyl)amino]ethyl]benzene-1,4-diol

C13H13ClN2O2 — CID 43689977

IUPAC2-[1-[(2-chloro-3-pyridinyl)amino]ethyl]benzene-1,4-diol
SMILESCC(Nc1cccnc1Cl)c1cc(O)ccc1O
InChIInChI=1S/C13H13ClN2O2/c1-8(10-7-9(17)4-5-12(10)18)16-11-3-2-6-15-13(11)14/h2-8,16-18H,1H3
InChIKeyGCZVRFLLOBZTAK-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.32
Rot. Bonds3

About 2-[1-[(2-chloro-3-pyridinyl)amino]ethyl]benzene-1,4-diol

2-[1-[(2-chloro-3-pyridinyl)amino]ethyl]benzene-1,4-diol (PubChem CID 43689977) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-[1-[(2-chloro-3-pyridinyl)amino]ethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[1-[(2-chloro-3-pyridinyl)amino]ethyl]benzene-1,4-diol
PubChem CID43689977
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-[1-[(2-chloro-3-pyridinyl)amino]ethyl]benzene-1,4-diol
SMILESCC(Nc1cccnc1Cl)c1cc(O)ccc1O
InChIInChI=1S/C13H13ClN2O2/c1-8(10-7-9(17)4-5-12(10)18)16-11-3-2-6-15-13(11)14/h2-8,16-18H,1H3
InChIKeyGCZVRFLLOBZTAK-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'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[1-(quinolin-8-ylamino)ethyl]benzene-1,4-diol
CID 43191666
4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol
CID 43689985
2-[1-(2-propan-2-ylanilino)ethyl]benzene-1,4-diol
CID 43192467
2-[1-(2-tert-butylanilino)ethyl]benzene-1,4-diol
CID 43682928
2-[1-(5-chloro-2-fluoroanilino)ethyl]benzene-1,4-diol
CID 43438338
2-[1-(4-chloroanilino)ethyl]benzene-1,4-diol
CID 43194306
2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 43689899
2-[1-(3-chloroanilino)ethyl]benzene-1,4-diol
CID 43194193
2-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzene-1,4-diol
CID 102804046
2-[1-[[2-(dimethylamino)-3-pyridinyl]amino]ethyl]-4-methylphenol
CID 43707996
2-[1-[2-(2-methoxyethyl)anilino]ethyl]benzene-1,4-diol
CID 102903701
2-[1-(3,5-dichloro-4-hydroxyanilino)ethyl]benzene-1,4-diol
CID 107679453

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-3-pyridinyl)amino]ethyl]benzene-1,4-diol?
The IUPAC name of 2-[1-[(2-chloro-3-pyridinyl)amino]ethyl]benzene-1,4-diol (CID 43689977) is 2-[1-[(2-chloro-3-pyridinyl)amino]ethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[1-[(2-chloro-3-pyridinyl)amino]ethyl]benzene-1,4-diol?
The canonical SMILES for 2-[1-[(2-chloro-3-pyridinyl)amino]ethyl]benzene-1,4-diol is CC(Nc1cccnc1Cl)c1cc(O)ccc1O.
What is the InChIKey of 2-[1-[(2-chloro-3-pyridinyl)amino]ethyl]benzene-1,4-diol?
The InChIKey is GCZVRFLLOBZTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-8(10-7-9(17)4-5-12(10)18)16-11-3-2-6-15-13(11)14/h2-8,16-18H,1H3.
What are the key properties of 2-[1-[(2-chloro-3-pyridinyl)amino]ethyl]benzene-1,4-diol?
2-[1-[(2-chloro-3-pyridinyl)amino]ethyl]benzene-1,4-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-[(2-chloro-3-pyridinyl)amino]ethyl]benzene-1,4-diol is sourced from PubChem (CID 43689977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).