2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol

C13H13ClN2O — CID 55159998

IUPAC2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol
SMILESOCC(Nc1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C13H13ClN2O/c14-11-6-7-13(15-8-11)16-12(9-17)10-4-2-1-3-5-10/h1-8,12,17H,9H2,(H,15,16)
InChIKeyNOQVSCXPVGWGMY-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.88
Rot. Bonds4

About 2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol

2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol (PubChem CID 55159998) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol
PubChem CID55159998
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol
SMILESOCC(Nc1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C13H13ClN2O/c14-11-6-7-13(15-8-11)16-12(9-17)10-4-2-1-3-5-10/h1-8,12,17H,9H2,(H,15,16)
InChIKeyNOQVSCXPVGWGMY-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

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Related Compounds

2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol
CID 110013489
2-[(5-chloro-2-pyridinyl)amino]propane-1,3-diol
CID 65314143
(2R)-2-[(6-chloropyrimidin-4-yl)amino]-2-phenylethanol
CID 129369078
2-phenyl-2-(pyrazin-2-ylamino)ethanol
CID 63183280
2-[(2-chloro-4-pyridinyl)amino]-2-phenylethanol
CID 103721804
2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 61246447
[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133445171
(2S)-2-[(5-bromopyrimidin-2-yl)amino]-2-phenylethanol
CID 95179696
(3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide
CID 7277749
(2R)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-phenylethanol
CID 135104502
2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide
CID 43245528
2-chloro-6-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile
CID 83077491

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol (CID 55159998) is 2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol is OCC(Nc1ccc(Cl)cn1)c1ccccc1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol?
The InChIKey is NOQVSCXPVGWGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-11-6-7-13(15-8-11)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-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol?
2-[(5-chloro-2-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-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol is sourced from PubChem (CID 55159998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).