[1-[(5-bromo-4-methyl-2-pyridinyl)amino]cyclobutyl]methanol

C11H15BrN2O — CID 115899096

IUPAC[1-[(5-bromo-4-methyl-2-pyridinyl)amino]cyclobutyl]methanol
SMILESCc1cc(NC2(CO)CCC2)ncc1Br
InChIInChI=1S/C11H15BrN2O/c1-8-5-10(13-6-9(8)12)14-11(7-15)3-2-4-11/h5-6,15H,2-4,7H2,1H3,(H,13,14)
InChIKeyUPRMPGXTGVTZLV-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.48
Rot. Bonds3

About [1-[(5-bromo-4-methyl-2-pyridinyl)amino]cyclobutyl]methanol

[1-[(5-bromo-4-methyl-2-pyridinyl)amino]cyclobutyl]methanol (PubChem CID 115899096) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is [1-[(5-bromo-4-methyl-2-pyridinyl)amino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(5-bromo-4-methyl-2-pyridinyl)amino]cyclobutyl]methanol
PubChem CID115899096
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name[1-[(5-bromo-4-methyl-2-pyridinyl)amino]cyclobutyl]methanol
SMILESCc1cc(NC2(CO)CCC2)ncc1Br
InChIInChI=1S/C11H15BrN2O/c1-8-5-10(13-6-9(8)12)14-11(7-15)3-2-4-11/h5-6,15H,2-4,7H2,1H3,(H,13,14)
InChIKeyUPRMPGXTGVTZLV-UHFFFAOYSA-N
XLogP2.48
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-4-methyl-2-pyridinyl)amino]cyclobutyl]methanol?
The IUPAC name of [1-[(5-bromo-4-methyl-2-pyridinyl)amino]cyclobutyl]methanol (CID 115899096) is [1-[(5-bromo-4-methyl-2-pyridinyl)amino]cyclobutyl]methanol.
What is the SMILES notation for [1-[(5-bromo-4-methyl-2-pyridinyl)amino]cyclobutyl]methanol?
The canonical SMILES for [1-[(5-bromo-4-methyl-2-pyridinyl)amino]cyclobutyl]methanol is Cc1cc(NC2(CO)CCC2)ncc1Br.
What is the InChIKey of [1-[(5-bromo-4-methyl-2-pyridinyl)amino]cyclobutyl]methanol?
The InChIKey is UPRMPGXTGVTZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8-5-10(13-6-9(8)12)14-11(7-15)3-2-4-11/h5-6,15H,2-4,7H2,1H3,(H,13,14).
What are the key properties of [1-[(5-bromo-4-methyl-2-pyridinyl)amino]cyclobutyl]methanol?
[1-[(5-bromo-4-methyl-2-pyridinyl)amino]cyclobutyl]methanol has a molecular weight of 271.16 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromo-4-methyl-2-pyridinyl)amino]cyclobutyl]methanol is sourced from PubChem (CID 115899096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).