2-[(5-bromo-3-pyridinyl)amino]cycloheptan-1-ol

C12H17BrN2O — CID 104531921

IUPAC2-[(5-bromo-3-pyridinyl)amino]cycloheptan-1-ol
SMILESOC1CCCCCC1Nc1cncc(Br)c1
InChIInChI=1S/C12H17BrN2O/c13-9-6-10(8-14-7-9)15-11-4-2-1-3-5-12(11)16/h6-8,11-12,15-16H,1-5H2
InChIKeyUDIPBUGJCPLHRQ-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.95
Rot. Bonds2

About 2-[(5-bromo-3-pyridinyl)amino]cycloheptan-1-ol

2-[(5-bromo-3-pyridinyl)amino]cycloheptan-1-ol (PubChem CID 104531921) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)amino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)amino]cycloheptan-1-ol
PubChem CID104531921
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name2-[(5-bromo-3-pyridinyl)amino]cycloheptan-1-ol
SMILESOC1CCCCCC1Nc1cncc(Br)c1
InChIInChI=1S/C12H17BrN2O/c13-9-6-10(8-14-7-9)15-11-4-2-1-3-5-12(11)16/h6-8,11-12,15-16H,1-5H2
InChIKeyUDIPBUGJCPLHRQ-UHFFFAOYSA-N
XLogP2.95
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-[(5-bromo-3-pyridinyl)amino]cyclopentan-1-ol
CID 99857915
2-[(5-bromo-3-pyridinyl)methylamino]cycloheptan-1-ol
CID 104797130
2-(3-bromoanilino)cyclohexan-1-ol
CID 60884414
2-[[(5-bromo-3-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 115657758
trans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol
CID 102733003
2-(2,4,6-tribromoanilino)cycloheptan-1-ol
CID 63489385
2-(4-bromo-2,6-dimethylanilino)cycloheptan-1-ol
CID 63489177
4-[(2-hydroxycyclohexyl)amino]-1H-pyridazin-6-one
CID 114392175
2-[3-bromo-5-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 65491811
trans-(1S,2S)-2-[(5-bromo-2-pyridinyl)amino]cyclohexan-1-ol
CID 119031585
trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)cyclohexane-1,2-diamine
CID 12024701
trans-(1S,2S)-2-(3,5-difluoroanilino)cyclohexan-1-ol
CID 102730953

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)amino]cycloheptan-1-ol?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)amino]cycloheptan-1-ol (CID 104531921) is 2-[(5-bromo-3-pyridinyl)amino]cycloheptan-1-ol.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)amino]cycloheptan-1-ol?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)amino]cycloheptan-1-ol is OC1CCCCCC1Nc1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)amino]cycloheptan-1-ol?
The InChIKey is UDIPBUGJCPLHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c13-9-6-10(8-14-7-9)15-11-4-2-1-3-5-12(11)16/h6-8,11-12,15-16H,1-5H2.
What are the key properties of 2-[(5-bromo-3-pyridinyl)amino]cycloheptan-1-ol?
2-[(5-bromo-3-pyridinyl)amino]cycloheptan-1-ol has a molecular weight of 285.18 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)amino]cycloheptan-1-ol is sourced from PubChem (CID 104531921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).