2-(2-amino-4-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanol

C13H12ClFN2O — CID 64712763

IUPAC2-(2-amino-4-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanol
SMILESNc1cc(CC(O)c2cccc(Cl)c2F)ccn1
InChIInChI=1S/C13H12ClFN2O/c14-10-3-1-2-9(13(10)15)11(18)6-8-4-5-17-12(16)7-8/h1-5,7,11,18H,6H2,(H2,16,17)
InChIKeyYTTDNXMSXUWUTI-UHFFFAOYSA-N
MW266.70 g/mol
LogP2.73
Rot. Bonds3

About 2-(2-amino-4-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanol

2-(2-amino-4-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanol (PubChem CID 64712763) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanol
PubChem CID64712763
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name2-(2-amino-4-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanol
SMILESNc1cc(CC(O)c2cccc(Cl)c2F)ccn1
InChIInChI=1S/C13H12ClFN2O/c14-10-3-1-2-9(13(10)15)11(18)6-8-4-5-17-12(16)7-8/h1-5,7,11,18H,6H2,(H2,16,17)
InChIKeyYTTDNXMSXUWUTI-UHFFFAOYSA-N
XLogP2.73
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanol
CID 64712924
1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 81263221
2-(2-amino-4-pyridinyl)-1-(2-chloro-6-methoxyphenyl)ethanol
CID 104817206
1-(3-chloro-2-fluorophenyl)-2-(4-ethylphenyl)ethanol
CID 64712768
1-(3-chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanol
CID 81263148
2-(2-amino-4-pyridinyl)-1-isoquinolin-4-ylethanol
CID 104504582
2-(2-amino-4-pyridinyl)-1-(2-bromo-6-fluorophenyl)ethanol
CID 114885790
1-(3-chloro-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103047803
3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol
CID 81262700
2-(2-amino-4-pyridinyl)-1-(4-chloro-2-methoxyphenyl)ethanol
CID 106819367
1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanol
CID 64712609
2-(4-chloro-3-fluorophenyl)-1-(2,3-dichlorophenyl)ethanol
CID 107883512

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanol?
The IUPAC name of 2-(2-amino-4-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanol (CID 64712763) is 2-(2-amino-4-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanol?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanol is Nc1cc(CC(O)c2cccc(Cl)c2F)ccn1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanol?
The InChIKey is YTTDNXMSXUWUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c14-10-3-1-2-9(13(10)15)11(18)6-8-4-5-17-12(16)7-8/h1-5,7,11,18H,6H2,(H2,16,17).
What are the key properties of 2-(2-amino-4-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanol?
2-(2-amino-4-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanol has a molecular weight of 266.70 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanol is sourced from PubChem (CID 64712763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).