2-(2-amino-3-pyridinyl)-1-(3-bromothiophen-2-yl)ethanol

C11H11BrN2OS — CID 115380906

IUPAC2-(2-amino-3-pyridinyl)-1-(3-bromothiophen-2-yl)ethanol
SMILESNc1ncccc1CC(O)c1sccc1Br
InChIInChI=1S/C11H11BrN2OS/c12-8-3-5-16-10(8)9(15)6-7-2-1-4-14-11(7)13/h1-5,9,15H,6H2,(H2,13,14)
InChIKeyVZBLNOUCPDPNFT-UHFFFAOYSA-N
MW299.19 g/mol
LogP2.76
Rot. Bonds3

About 2-(2-amino-3-pyridinyl)-1-(3-bromothiophen-2-yl)ethanol

2-(2-amino-3-pyridinyl)-1-(3-bromothiophen-2-yl)ethanol (PubChem CID 115380906) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is 2-(2-amino-3-pyridinyl)-1-(3-bromothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-amino-3-pyridinyl)-1-(3-bromothiophen-2-yl)ethanol
PubChem CID115380906
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name2-(2-amino-3-pyridinyl)-1-(3-bromothiophen-2-yl)ethanol
SMILESNc1ncccc1CC(O)c1sccc1Br
InChIInChI=1S/C11H11BrN2OS/c12-8-3-5-16-10(8)9(15)6-7-2-1-4-14-11(7)13/h1-5,9,15H,6H2,(H2,13,14)
InChIKeyVZBLNOUCPDPNFT-UHFFFAOYSA-N
XLogP2.76
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-3-pyridinyl)-1-(4-bromo-3-fluorophenyl)ethanol
CID 81447980
2-(2-amino-3-pyridinyl)-1-(3-bromo-5-fluorophenyl)ethanol
CID 66425032
1-(3-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol
CID 55239745
1-(3-bromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethanol
CID 113298218
3-(2-methylpropyl)pyridin-2-amine
CID 20771927
1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol
CID 82684971
(1R)-1-(3-bromothiophen-2-yl)propan-1-ol
CID 82758861
1-(3-bromothiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 113298221
1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethanol
CID 63799484
2-(2-bromophenyl)-1-pyrimidin-2-ylethanol
CID 60798582
3-(3-bromothiophen-2-yl)-3-hydroxypropanal
CID 114795337
2-[2-(3-bromothiophen-2-yl)-2-chloroethyl]pyridine
CID 66459778

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-pyridinyl)-1-(3-bromothiophen-2-yl)ethanol?
The IUPAC name of 2-(2-amino-3-pyridinyl)-1-(3-bromothiophen-2-yl)ethanol (CID 115380906) is 2-(2-amino-3-pyridinyl)-1-(3-bromothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(2-amino-3-pyridinyl)-1-(3-bromothiophen-2-yl)ethanol?
The canonical SMILES for 2-(2-amino-3-pyridinyl)-1-(3-bromothiophen-2-yl)ethanol is Nc1ncccc1CC(O)c1sccc1Br.
What is the InChIKey of 2-(2-amino-3-pyridinyl)-1-(3-bromothiophen-2-yl)ethanol?
The InChIKey is VZBLNOUCPDPNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c12-8-3-5-16-10(8)9(15)6-7-2-1-4-14-11(7)13/h1-5,9,15H,6H2,(H2,13,14).
What are the key properties of 2-(2-amino-3-pyridinyl)-1-(3-bromothiophen-2-yl)ethanol?
2-(2-amino-3-pyridinyl)-1-(3-bromothiophen-2-yl)ethanol has a molecular weight of 299.19 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-pyridinyl)-1-(3-bromothiophen-2-yl)ethanol is sourced from PubChem (CID 115380906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).