[1-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]cyclopropyl]methanol

C10H14BrN3O — CID 115454140

IUPAC[1-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]cyclopropyl]methanol
SMILESNc1cnc(NCC2(CO)CC2)c(Br)c1
InChIInChI=1S/C10H14BrN3O/c11-8-3-7(12)4-13-9(8)14-5-10(6-15)1-2-10/h3-4,15H,1-2,5-6,12H2,(H,13,14)
InChIKeyYTBLYWNFTQNXDH-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.61
Rot. Bonds4

About [1-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]cyclopropyl]methanol

[1-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]cyclopropyl]methanol (PubChem CID 115454140) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is [1-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]cyclopropyl]methanol
PubChem CID115454140
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name[1-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]cyclopropyl]methanol
SMILESNc1cnc(NCC2(CO)CC2)c(Br)c1
InChIInChI=1S/C10H14BrN3O/c11-8-3-7(12)4-13-9(8)14-5-10(6-15)1-2-10/h3-4,15H,1-2,5-6,12H2,(H,13,14)
InChIKeyYTBLYWNFTQNXDH-UHFFFAOYSA-N
XLogP1.61
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]cyclopropyl]methanol (CID 115454140) is [1-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]cyclopropyl]methanol is Nc1cnc(NCC2(CO)CC2)c(Br)c1.
What is the InChIKey of [1-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]cyclopropyl]methanol?
The InChIKey is YTBLYWNFTQNXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c11-8-3-7(12)4-13-9(8)14-5-10(6-15)1-2-10/h3-4,15H,1-2,5-6,12H2,(H,13,14).
What are the key properties of [1-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]cyclopropyl]methanol?
[1-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]cyclopropyl]methanol has a molecular weight of 272.15 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115454140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).