2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol

C13H12ClFN2O — CID 133351470

IUPAC2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol
SMILESOC(CNc1ccc(Cl)cn1)c1ccccc1F
InChIInChI=1S/C13H12ClFN2O/c14-9-5-6-13(16-7-9)17-8-12(18)10-3-1-2-4-11(10)15/h1-7,12,18H,8H2,(H,16,17)
InChIKeyCMDSXUCCAOTVAQ-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.02
Rot. Bonds4

About 2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol

2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol (PubChem CID 133351470) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol
PubChem CID133351470
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol
SMILESOC(CNc1ccc(Cl)cn1)c1ccccc1F
InChIInChI=1S/C13H12ClFN2O/c14-9-5-6-13(16-7-9)17-8-12(18)10-3-1-2-4-11(10)15/h1-7,12,18H,8H2,(H,16,17)
InChIKeyCMDSXUCCAOTVAQ-UHFFFAOYSA-N
XLogP3.02
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133351553
[6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133351592
2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 103705029
2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol
CID 81279974
(1R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2-fluorophenyl)ethanol
CID 52579767
2-[(7-chloroquinolin-4-yl)amino]-1-(2-fluorophenyl)ethanol
CID 133351580
2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-(2-fluorophenyl)ethanol
CID 133351591
(2R)-1-(2-chlorophenoxy)-3-[(5-chloro-2-pyridinyl)amino]propan-2-ol
CID 51699355
1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62810638
1-(2-fluorophenyl)-2-[[2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-5-methylpyrimidin-4-yl]amino]ethanol
CID 133349123
3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82316740
1-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
CID 79769940

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol (CID 133351470) is 2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol is OC(CNc1ccc(Cl)cn1)c1ccccc1F.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol?
The InChIKey is CMDSXUCCAOTVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c14-9-5-6-13(16-7-9)17-8-12(18)10-3-1-2-4-11(10)15/h1-7,12,18H,8H2,(H,16,17).
What are the key properties of 2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol?
2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol has a molecular weight of 266.70 g/mol, XLogP of 3.02, 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]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 133351470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).