4-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclohexan-1-ol

C12H17BrN2O — CID 103915060

IUPAC4-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclohexan-1-ol
SMILESCc1nc(NC2CCC(O)CC2)ccc1Br
InChIInChI=1S/C12H17BrN2O/c1-8-11(13)6-7-12(14-8)15-9-2-4-10(16)5-3-9/h6-7,9-10,16H,2-5H2,1H3,(H,14,15)
InChIKeyCFUUWCMYFVCHMY-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.87
Rot. Bonds2

About 4-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclohexan-1-ol

4-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclohexan-1-ol (PubChem CID 103915060) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 4-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclohexan-1-ol
PubChem CID103915060
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name4-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclohexan-1-ol
SMILESCc1nc(NC2CCC(O)CC2)ccc1Br
InChIInChI=1S/C12H17BrN2O/c1-8-11(13)6-7-12(14-8)15-9-2-4-10(16)5-3-9/h6-7,9-10,16H,2-5H2,1H3,(H,14,15)
InChIKeyCFUUWCMYFVCHMY-UHFFFAOYSA-N
XLogP2.87
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclohexan-1-ol (CID 103915060) is 4-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclohexan-1-ol is Cc1nc(NC2CCC(O)CC2)ccc1Br.
What is the InChIKey of 4-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclohexan-1-ol?
The InChIKey is CFUUWCMYFVCHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8-11(13)6-7-12(14-8)15-9-2-4-10(16)5-3-9/h6-7,9-10,16H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclohexan-1-ol?
4-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclohexan-1-ol has a molecular weight of 285.19 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 103915060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).