(1R)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol

C13H15BrN2OS — CID 83131878

IUPAC(1R)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)Cc2csc(Br)c2)cn1
InChIInChI=1S/C13H15BrN2OS/c1-9(17)12-4-3-11(6-15-12)16(2)7-10-5-13(14)18-8-10/h3-6,8-9,17H,7H2,1-2H3/t9-/m1/s1
InChIKeyNSPBLDPWIHVEJZ-SECBINFHSA-N
MW327.25 g/mol
LogP3.60
Rot. Bonds4

About (1R)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol

(1R)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol (PubChem CID 83131878) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is (1R)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol
PubChem CID83131878
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name(1R)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)Cc2csc(Br)c2)cn1
InChIInChI=1S/C13H15BrN2OS/c1-9(17)12-4-3-11(6-15-12)16(2)7-10-5-13(14)18-8-10/h3-6,8-9,17H,7H2,1-2H3/t9-/m1/s1
InChIKeyNSPBLDPWIHVEJZ-SECBINFHSA-N
XLogP3.60
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131703
(1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol
CID 83132028
(1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131523
(1R)-1-[5-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]ethanol
CID 83132151
(1S)-1-[5-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]ethanol
CID 83132034
(1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131957
1-[3-bromo-4-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]ethanol
CID 55130341
(1R)-1-[4-[(5-bromothiophen-3-yl)methyl-methylamino]-3-chlorophenyl]ethanol
CID 63371224
(1R)-1-[5-[2,2-difluoroethyl(methyl)amino]-2-pyridinyl]ethanol
CID 104871019
[6-[(5-bromothiophen-3-yl)methyl-methylamino]-3-pyridinyl]methanol
CID 54986955
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62288831
(1S)-1-[5-[methyl(prop-2-ynyl)amino]-2-pyridinyl]ethanol
CID 83132268

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol (CID 83131878) is (1R)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol is C[C@@H](O)c1ccc(N(C)Cc2csc(Br)c2)cn1.
What is the InChIKey of (1R)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol?
The InChIKey is NSPBLDPWIHVEJZ-SECBINFHSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-9(17)12-4-3-11(6-15-12)16(2)7-10-5-13(14)18-8-10/h3-6,8-9,17H,7H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol?
(1R)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol has a molecular weight of 327.25 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol is sourced from PubChem (CID 83131878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).