2-[(2-chloro-4-pyridinyl)amino]-2-phenylethanol

C13H13ClN2O — CID 103721804

IUPAC2-[(2-chloro-4-pyridinyl)amino]-2-phenylethanol
SMILESOCC(Nc1ccnc(Cl)c1)c1ccccc1
InChIInChI=1S/C13H13ClN2O/c14-13-8-11(6-7-15-13)16-12(9-17)10-4-2-1-3-5-10/h1-8,12,17H,9H2,(H,15,16)
InChIKeyBXXWPQFLFYGIBO-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.88
Rot. Bonds4

About 2-[(2-chloro-4-pyridinyl)amino]-2-phenylethanol

2-[(2-chloro-4-pyridinyl)amino]-2-phenylethanol (PubChem CID 103721804) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-[(2-chloro-4-pyridinyl)amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[(2-chloro-4-pyridinyl)amino]-2-phenylethanol
PubChem CID103721804
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name2-[(2-chloro-4-pyridinyl)amino]-2-phenylethanol
SMILESOCC(Nc1ccnc(Cl)c1)c1ccccc1
InChIInChI=1S/C13H13ClN2O/c14-13-8-11(6-7-15-13)16-12(9-17)10-4-2-1-3-5-10/h1-8,12,17H,9H2,(H,15,16)
InChIKeyBXXWPQFLFYGIBO-UHFFFAOYSA-N
XLogP2.88
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.88
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

(2R)-2-[(6-chloropyrimidin-4-yl)amino]-2-phenylethanol
CID 129369078
4-[(2-hydroxy-1-phenylethyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 63182907
2-(3-chloroanilino)-2-(3-chlorophenyl)ethanol
CID 61049948
2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol
CID 55159998
2-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile
CID 63183198
2-[[5-(3-chlorophenyl)-3-pyridinyl]amino]-2-phenylethanol
CID 123984384
N-benzyl-2-[(2-chloro-4-pyridinyl)amino]propanamide
CID 133360082
2-chloro-6-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile
CID 83077491
N-(benzhydrylideneamino)-2-chloropyridin-4-amine
CID 126742562
2-phenyl-2-(pyrazin-2-ylamino)ethanol
CID 63183280
N-(2-chloro-4-pyridinyl)-N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxamide
CID 51824206
2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol
CID 112689970

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-pyridinyl)amino]-2-phenylethanol?
The IUPAC name of 2-[(2-chloro-4-pyridinyl)amino]-2-phenylethanol (CID 103721804) is 2-[(2-chloro-4-pyridinyl)amino]-2-phenylethanol.
What is the SMILES notation for 2-[(2-chloro-4-pyridinyl)amino]-2-phenylethanol?
The canonical SMILES for 2-[(2-chloro-4-pyridinyl)amino]-2-phenylethanol is OCC(Nc1ccnc(Cl)c1)c1ccccc1.
What is the InChIKey of 2-[(2-chloro-4-pyridinyl)amino]-2-phenylethanol?
The InChIKey is BXXWPQFLFYGIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-13-8-11(6-7-15-13)16-12(9-17)10-4-2-1-3-5-10/h1-8,12,17H,9H2,(H,15,16).
What are the key properties of 2-[(2-chloro-4-pyridinyl)amino]-2-phenylethanol?
2-[(2-chloro-4-pyridinyl)amino]-2-phenylethanol has a molecular weight of 248.71 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-pyridinyl)amino]-2-phenylethanol is sourced from PubChem (CID 103721804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).