1-[[(5-bromo-2-pyridinyl)amino]methyl]cyclobutan-1-ol

C10H13BrN2O — CID 71983720

IUPAC1-[[(5-bromo-2-pyridinyl)amino]methyl]cyclobutan-1-ol
SMILESOC1(CNc2ccc(Br)cn2)CCC1
InChIInChI=1S/C10H13BrN2O/c11-8-2-3-9(12-6-8)13-7-10(14)4-1-5-10/h2-3,6,14H,1,4-5,7H2,(H,12,13)
InChIKeyGZLSHRRUGVWAOK-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.17
Rot. Bonds3

About 1-[[(5-bromo-2-pyridinyl)amino]methyl]cyclobutan-1-ol

1-[[(5-bromo-2-pyridinyl)amino]methyl]cyclobutan-1-ol (PubChem CID 71983720) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 1-[[(5-bromo-2-pyridinyl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[(5-bromo-2-pyridinyl)amino]methyl]cyclobutan-1-ol
PubChem CID71983720
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name1-[[(5-bromo-2-pyridinyl)amino]methyl]cyclobutan-1-ol
SMILESOC1(CNc2ccc(Br)cn2)CCC1
InChIInChI=1S/C10H13BrN2O/c11-8-2-3-9(12-6-8)13-7-10(14)4-1-5-10/h2-3,6,14H,1,4-5,7H2,(H,12,13)
InChIKeyGZLSHRRUGVWAOK-UHFFFAOYSA-N
XLogP2.17
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-[[(5-bromo-2-pyridinyl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[(5-bromo-2-pyridinyl)amino]methyl]cyclobutan-1-ol (CID 71983720) is 1-[[(5-bromo-2-pyridinyl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[(5-bromo-2-pyridinyl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[(5-bromo-2-pyridinyl)amino]methyl]cyclobutan-1-ol is OC1(CNc2ccc(Br)cn2)CCC1.
What is the InChIKey of 1-[[(5-bromo-2-pyridinyl)amino]methyl]cyclobutan-1-ol?
The InChIKey is GZLSHRRUGVWAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c11-8-2-3-9(12-6-8)13-7-10(14)4-1-5-10/h2-3,6,14H,1,4-5,7H2,(H,12,13).
What are the key properties of 1-[[(5-bromo-2-pyridinyl)amino]methyl]cyclobutan-1-ol?
1-[[(5-bromo-2-pyridinyl)amino]methyl]cyclobutan-1-ol has a molecular weight of 257.13 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-bromo-2-pyridinyl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 71983720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).