trans-(1S,2S)-2-[(5-bromo-3-pyridinyl)amino]cyclopentan-1-ol

C10H13BrN2O — CID 99857915

IUPACtrans-(1S,2S)-2-[(5-bromo-3-pyridinyl)amino]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1cncc(Br)c1
InChIInChI=1S/C10H13BrN2O/c11-7-4-8(6-12-5-7)13-9-2-1-3-10(9)14/h4-6,9-10,13-14H,1-3H2/t9-,10-/m0/s1
InChIKeyMPPXGHZVKCIBPQ-UWVGGRQHSA-N
MW257.13 g/mol
LogP2.17
Rot. Bonds2

About trans-(1S,2S)-2-[(5-bromo-3-pyridinyl)amino]cyclopentan-1-ol

trans-(1S,2S)-2-[(5-bromo-3-pyridinyl)amino]cyclopentan-1-ol (PubChem CID 99857915) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(5-bromo-3-pyridinyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(5-bromo-3-pyridinyl)amino]cyclopentan-1-ol
PubChem CID99857915
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Nametrans-(1S,2S)-2-[(5-bromo-3-pyridinyl)amino]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1cncc(Br)c1
InChIInChI=1S/C10H13BrN2O/c11-7-4-8(6-12-5-7)13-9-2-1-3-10(9)14/h4-6,9-10,13-14H,1-3H2/t9-,10-/m0/s1
InChIKeyMPPXGHZVKCIBPQ-UWVGGRQHSA-N
XLogP2.17
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-3-pyridinyl)amino]cycloheptan-1-ol
CID 104531921
trans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol
CID 102733003
2-(3-bromoanilino)cyclohexan-1-ol
CID 60884414
2-[3-bromo-5-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 65491811
2-[[(5-bromo-3-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 115657758
2-[(6-bromonaphthalen-2-yl)amino]cyclopentan-1-ol
CID 81259521
2-[(5-bromo-3-pyridinyl)methylamino]cycloheptan-1-ol
CID 104797130
trans-(1R,2R)-2-(2,4,6-tribromoanilino)cyclopentan-1-ol
CID 102733064
trans-(1S,2S)-2-(3,5-difluoroanilino)cyclopentan-1-ol
CID 93345900
2-(4-bromo-3-chloroanilino)cyclopentan-1-ol
CID 107619823
2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol
CID 91648836
trans-(1S,2S)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol
CID 99777938

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(5-bromo-3-pyridinyl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(5-bromo-3-pyridinyl)amino]cyclopentan-1-ol (CID 99857915) is trans-(1S,2S)-2-[(5-bromo-3-pyridinyl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(5-bromo-3-pyridinyl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(5-bromo-3-pyridinyl)amino]cyclopentan-1-ol is O[C@H]1CCC[C@@H]1Nc1cncc(Br)c1.
What is the InChIKey of trans-(1S,2S)-2-[(5-bromo-3-pyridinyl)amino]cyclopentan-1-ol?
The InChIKey is MPPXGHZVKCIBPQ-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H13BrN2O/c11-7-4-8(6-12-5-7)13-9-2-1-3-10(9)14/h4-6,9-10,13-14H,1-3H2/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(5-bromo-3-pyridinyl)amino]cyclopentan-1-ol?
trans-(1S,2S)-2-[(5-bromo-3-pyridinyl)amino]cyclopentan-1-ol has a molecular weight of 257.13 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(5-bromo-3-pyridinyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 99857915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).