4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol

C13H13ClN2O — CID 43689985

IUPAC4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol
SMILESCC(Nc1cccnc1Cl)c1ccc(O)cc1
InChIInChI=1S/C13H13ClN2O/c1-9(10-4-6-11(17)7-5-10)16-12-3-2-8-15-13(12)14/h2-9,16-17H,1H3
InChIKeyJGDLXMYFIBJXEW-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.61
Rot. Bonds3

About 4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol

4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol (PubChem CID 43689985) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol
PubChem CID43689985
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol
SMILESCC(Nc1cccnc1Cl)c1ccc(O)cc1
InChIInChI=1S/C13H13ClN2O/c1-9(10-4-6-11(17)7-5-10)16-12-3-2-8-15-13(12)14/h2-9,16-17H,1H3
InChIKeyJGDLXMYFIBJXEW-UHFFFAOYSA-N
XLogP3.61
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.61
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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Related Compounds

2-[1-[(2-chloro-3-pyridinyl)amino]ethyl]benzene-1,4-diol
CID 43689977
4-[1-[(8-chloroquinolin-5-yl)amino]ethyl]phenol
CID 43731743
2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]pyridin-3-amine
CID 83069299
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine
CID 43690097
2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 43689899
2-[(2-chloro-3-pyridinyl)amino]propanoic acid
CID 66174310
3-[(2-chloro-3-pyridinyl)amino]-2-methylbutan-2-ol
CID 65338181
4-[1-(2-methylsulfanylanilino)ethyl]phenol
CID 43683440
2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridin-3-amine
CID 63752258
N-[1-(4-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine
CID 107354051
N-[1-(4-chlorophenyl)ethyl]-2-ethoxypyridin-3-amine
CID 43706283
N-[1-(3,4-dichlorophenyl)ethyl]quinolin-5-amine
CID 43103629

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol?
The IUPAC name of 4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol (CID 43689985) is 4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol.
What is the SMILES notation for 4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol?
The canonical SMILES for 4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol is CC(Nc1cccnc1Cl)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol?
The InChIKey is JGDLXMYFIBJXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-9(10-4-6-11(17)7-5-10)16-12-3-2-8-15-13(12)14/h2-9,16-17H,1H3.
What are the key properties of 4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol?
4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol has a molecular weight of 248.71 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol is sourced from PubChem (CID 43689985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).