(2S)-2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-(furan-2-yl)ethanol

C12H13BrN2O2 — CID 99776461

IUPAC(2S)-2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-(furan-2-yl)ethanol
SMILESCc1cc(N[C@@H](CO)c2ccco2)ncc1Br
InChIInChI=1S/C12H13BrN2O2/c1-8-5-12(14-6-9(8)13)15-10(7-16)11-3-2-4-17-11/h2-6,10,16H,7H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyKUOSGIUJJDZFRG-JTQLQIEISA-N
MW297.15 g/mol
LogP2.89
Rot. Bonds4

About (2S)-2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-(furan-2-yl)ethanol

(2S)-2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-(furan-2-yl)ethanol (PubChem CID 99776461) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is (2S)-2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-(furan-2-yl)ethanol.

Molecular Properties

Compound Name(2S)-2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-(furan-2-yl)ethanol
PubChem CID99776461
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name(2S)-2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-(furan-2-yl)ethanol
SMILESCc1cc(N[C@@H](CO)c2ccco2)ncc1Br
InChIInChI=1S/C12H13BrN2O2/c1-8-5-12(14-6-9(8)13)15-10(7-16)11-3-2-4-17-11/h2-6,10,16H,7H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyKUOSGIUJJDZFRG-JTQLQIEISA-N
XLogP2.89
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[1-(furan-2-yl)propan-2-yl]-4-methylpyridin-2-amine
CID 115773907
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-3-thiophen-2-ylpropan-1-ol
CID 133403078
3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
CID 115774135
2-(furan-2-yl)-2-[(6-propan-2-yloxypyrazin-2-yl)amino]ethanol
CID 133484826
5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine
CID 86323877
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propane-1,2-diol
CID 86802622
2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(furan-2-yl)ethanol
CID 133484828
5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 114869215
3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 133490704
2-(furan-2-yl)-2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol
CID 133461446
2-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 114869550
5-bromo-N-[1-(3-bromophenyl)ethyl]-4-methylpyridin-2-amine
CID 114869184

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-(furan-2-yl)ethanol?
The IUPAC name of (2S)-2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-(furan-2-yl)ethanol (CID 99776461) is (2S)-2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-(furan-2-yl)ethanol.
What is the SMILES notation for (2S)-2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-(furan-2-yl)ethanol?
The canonical SMILES for (2S)-2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-(furan-2-yl)ethanol is Cc1cc(N[C@@H](CO)c2ccco2)ncc1Br.
What is the InChIKey of (2S)-2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-(furan-2-yl)ethanol?
The InChIKey is KUOSGIUJJDZFRG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-8-5-12(14-6-9(8)13)15-10(7-16)11-3-2-4-17-11/h2-6,10,16H,7H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-(furan-2-yl)ethanol?
(2S)-2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-(furan-2-yl)ethanol has a molecular weight of 297.15 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-(furan-2-yl)ethanol is sourced from PubChem (CID 99776461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).